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Predicate	Value (sorted: none)
rdf:type	drugbank:drugs
rdfs:label	"(3aS)-3a-hydroxy-1-phenyl-1,2,3,3a-tetrahydro-4H-pyrrolo[2,3-b]quinolin-4-one"
drugbank:description	" experimental This compound belongs to the pyrroloquinolines. These are compounds containing a pyrroloquinoline moiety, which consists of a pyrrole ring fused to a quinoline. Pyrroloquinolines Organic Compounds Heterocyclic Compounds Quinolines and Derivatives Pyrroloquinolines Phenylpyrrolidines Benzene and Substituted Derivatives Pyrroles Tertiary Alcohols Tertiary Amines Ketones Carboxamidines Polyamines 1-phenylpyrrolidine benzene pyrrole pyrrolidine tertiary alcohol ketone tertiary amine amidine carboxylic acid amidine polyamine alcohol amine carbonyl group organonitrogen compound logP 1.82 ALOGPS logS -3 ALOGPS Water Solubility 2.57e-01 g/l ALOGPS logP 2.37 ChemAxon IUPAC Name (3aS)-3a-hydroxy-1-phenyl-1H,2H,3H,3aH,4H-pyrrolo[2,3-b]quinolin-4-one ChemAxon Traditional IUPAC Name (3aS)-3a-hydroxy-1-phenyl-2H,3H-pyrrolo[2,3-b]quinolin-4-one ChemAxon Molecular Weight 278.3053 ChemAxon Monoisotopic Weight 278.105527702 ChemAxon SMILES O[C@@]12CCN(C1=NC1=C(C=CC=C1)C2=O)C1=CC=CC=C1 ChemAxon Molecular Formula C17H14N2O2 ChemAxon InChI InChI=1S/C17H14N2O2/c20-15-13-8-4-5-9-14(13)18-16-17(15,21)10-11-19(16)12-6-2-1-3-7-12/h1-9,21H,10-11H2/t17-/m1/s1 ChemAxon InChIKey InChIKey=DOMYOVZXZIZTRD-QGZVFWFLSA-N ChemAxon Polar Surface Area (PSA) 52.9 ChemAxon Refractivity 82.2 ChemAxon Polarizability 29.32 ChemAxon Rotatable Bond Count 1 ChemAxon H Bond Acceptor Count 4 ChemAxon H Bond Donor Count 1 ChemAxon pKa (strongest acidic) 11.54 ChemAxon pKa (strongest basic) 2.25 ChemAxon Physiological Charge 0 ChemAxon Number of Rings 4 ChemAxon Bioavailability 1 ChemAxon Rule of Five true ChemAxon Ghose Filter true ChemAxon PubChem Compound 24178121 PubChem Substance 99443941 PDB BL7 BE0003893 Myosin-14 Human # Berman HM, Westbrook J, Feng Z, Gilliland G, Bhat TN, Weissig H, Shindyalov IN, Bourne PE: The Protein Data Bank. Nucleic Acids Res. 2000 Jan 1;28(1):235-42. "Pubmed":http://www.ncbi.nlm.nih.gov/pubmed/10592235 unknown Myosin-14 Cell cycle control, cell division, chromosome partitioning Cellular myosin that appears to play a role in cytokinesis, cell shape, and specialized functions such as secretion and capping (By similarity) MYH14 19q13.33 None 5.69 227999.8 Human HUGO Gene Nomenclature Committee (HGNC) GNC:23212 GeneCards MYH14 GenBank Gene Database AY165122 GenBank Protein Database 33438760 UniProtKB Q7Z406 UniProt Accession MYH14_HUMAN Myosin heavy chain 14 Myosin heavy chain, non-muscle IIc NMHC II-C Non-muscle myosin heavy chain IIc >Myosin-14 MAAVTMSVPGRKAPPRPGPVPEAAQPFLFTPRGPSAGGGPGSGTSPQVEWTARRLVWVPS ELHGFEAAALRDEGEEEAEVELAESGRRLRLPRDQIQRMNPPKFSKAEDMAELTCLNEAS VLHNLRERYYSGLIYTYSGLFCVVINPYKQLPIYTEAIVEMYRGKKRHEVPPHVYAVTEG AYRSMLQDREDQSILCTGESGAGKTENTKKVIQYLAHVASSPKGRKEPGVPGELERQLLQ ANPILEAFGNAKTVKNDNSSRFGKFIRINFDVAGYIVGANIETYLLEKSRAIRQAKDECS FHIFYQLLGGAGEQLKADLLLEPCSHYRFLTNGPSSSPGQERELFQETLESLRVLGFSHE EIISMLRMVSAVLQFGNIALKRERNTDQATMPDNTAAQKLCRLLGLGVTDFSRALLTPRI KVGRDYVQKAQTKEQADFALEALAKATYERLFRWLVLRLNRALDRSPRQGASFLGILDIA GFEIFQLNSFEQLCINYTNEKLQQLFNHTMFVLEQEEYQREGIPWTFLDFGLDLQPCIDL IERPANPPGLLALLDEECWFPKATDKSFVEKVAQEQGGHPKFQRPRHLRDQADFSVLHYA GKVDYKANEWLMKNMDPLNDNVAALLHQSTDRLTAEIWKDVEGIVGLEQVSSLGDGPPGG RPRRGMFRTVGQLYKESLSRLMATLSNTNPSFVRCIVPNHEKRAGKLEPRLVLDQLRCNG VLEGIRICRQGFPNRILFQEFRQRYEILTPNAIPKGFMDGKQACEKMIQALELDPNLYRV GQSKIFFRAGVLAQLEEERDLKVTDIIVSFQAAARGYLARRAFQKRQQQQSALRVMQRNC AAYLKLRHWQWWRLFTKVKPLLQVTRQDEVLQARAQELQKVQELQQQSAREVGELQGRVA QLEEERARLAEQLRAEAELCAEAEETRGRLAARKQELELVVSELEARVGEEEECSRQMQT EKKRLQQHIQELEAHLEAEEGARQKLQLEKVTTEAKMKKFEEDLLLLEDQNSKLSKSGSC WKIVWPSSHPRQLRRRRRSRASISYGSNMRPQSQTWRDRLRKEEKGRQELEKLKRRLDGE SSELQEQMVEQQQRAEELRAQLGRKEEELQAALARAEDEGGARAQLLKSLREAQAALAEA QEDLESERVARTKAEKQRRDLGEELEALRGELEDTLDSTNAQQELRSKREQEVTELKKTL EEETRIHEAAVQELRQRHGQALGELAEQLEQARRGKGAWEKTRLALEAEVSELRAELSSL QTARQEGEQRRRRLELQLQEVQGRAGDGERARAEAAEKLQRAQAELENVSGALNEAESKT IRLSKELSSTEAQLHDAQELLQEETRAKLALGSRVRAMEAEAAGLREQLEEEAAARERAG RELQTAQAQLSEWRRRQEEEAGALEAGEEARRRAAREAEALTQRLAEKTETVDRLERGRR RLQQELDDATMDLEQQRQLVSTLEKKQRKFDQLLAEEKAAVLRAVEERERAEAEGREREA RALSLTRALEEEQEAREELERQNRALRAELEALLSSKDDVGKSVHELERACRVAEQAAND LRAQVTELEDELTAAEDAKLRLEVTVQALKTQHERDLQGRDEAGEERRRQLAKQLRDAEV ERDEERKQRTLAVAARKKLEGELEELKAQMASAGQGKEEAVKQLRKMQAQMKELWREVEE TRTSREEIFSQNRESEKRLKGLEAEVLRLQEELAASDRARRQAQQDRDEMADEVANGNLS KAAILEEKRQLEGRLGQLEEELEEEQSNSELLNDRYRKLLLQVESLTTELSAERSFSAKA ESGRQQLERQIQELRGRLGEEDAGARARHKMTIAALESKLAQAEEQLEQETRERILSGKL VRRAEKRLKEVVLQVEEERRVADQLRDQLEKGNLRVKQLKRQLEEAEEEASRAQAGRRRL QRELEDVTESAESMNREVTTLRNRLRRGPLTFTTRTVRQVFRLEEGVASDEEAEEAQPGS GPSPEPEGSPPAHPQ >5988 bp ATGGCAGCCGTGACCATGTCGGTGCCCGGGCGGAAGGCGCCCCCCAGGCCGGGCCCAGTG CCCGAGGCGGCCCAGCCGTTCCTGTTCACGCCCCGCGGGCCCAGCGCGGGTGGCGGGCCT GGCTCGGGCACCTCCCCGCAGGTGGAGTGGACGGCCCGGCGTCTCGTGTGGGTGCCTTCG GAGCTTCACGGGTTCGAGGCGGCGGCGCTGCGGGACGAAGGCGAGGAGGAGGCGGAGGTG GAGCTGGCGGAGAGCGGGAGGCGGCTGCGACTGCCGCGGGACCAGATCCAGCGCATGAAC CCGCCCAAGTTCAGCAAGGCCGAGGACATGGCCGAGCTGACCTGCCTCAACGAGGCCTCG GTCCTGCACAACCTCCGGGAGCGGTACTACTCCGGCCTCATCTACACGTACTCCGGCCTT TTCTGTGTGGTCATCAACCCGTACAAGCAGCTTCCCATCTACACAGAAGCCATTGTGGAG ATGTACCGGGGCAAGAAGCGCCACGAGGTGCCACCCCACGTGTACGCAGTGACCGAGGGG GCCTATCGGAGCATGCTGCAGGATCGTGAGGACCAGTCCATTCTCTGCACTGGAGAGTCT GGAGCTGGGAAGACGGAAAACACCAAGAAGGTCATCCAGTACCTCGCCCACGTGGCATCG TCTCCAAAGGGCAGGAAGGAGCCGGGTGTCCCCGGTGAGCTGGAGCGGCAGCTGCTTCAG GCCAACCCCATCCTAGAGGCCTTTGGCAATGCCAAGACAGTGAAGAATGACAACTCCTCC CGATTCGGCAAATTCATCCGCATCAACTTTGATGTTGCCGGGTACATCGTGGGCGCCAAC ATTGAGACCTACCTGCTGGAGAAGTCGCGGGCCATCCGCCAGGCCAAGGACGAGTGCAGC TTCCACATCTTCTACCAGCTGCTGGGGGGCGCTGGAGAGCAGCTCAAAGCCGACCTCCTC CTCGAGCCCTGCTCCCACTACCGGTTCCTGACCAACGGGCCGTCATCCTCTCCCGGCCAG GAGCGGGAACTCTTCCAGGAGACGCTGGAGTCGCTGCGGGTCCTGGGATTCAGCCACGAG GAAATCATCTCCATGCTGCGGATGGTCTCAGCAGTTCTCCAGTTTGGCAACATTGCCTTG AAGAGAGAACGGAACACCGATCAAGCCACCATGCCTGACAACACAGCTGCACAGAAGCTC TGCCGCCTCTTGGGACTGGGGGTGACGGATTTCTCCCGAGCCTTGCTCACCCCTCGCATC AAAGTTGGCCGAGACTATGTGCAGAAAGCCCAGACTAAGGAACAGGCTGACTTCGCGCTG GAGGCCCTGGCCAAGGCCACCTACGAGCGCCTCTTCCGCTGGCTGGTTCTGCGCCTCAAC CGGGCCTTGGACCGCAGCCCCCGCCAAGGCGCCTCCTTCCTGGGCATCCTGGACATCGCG GGCTTTGAGATCTTCCAGCTGAACTCCTTCGAGCAGCTCTGCATCAACTACACCAACGAG AAGCTGCAGCAGCTCTTCAACCACACCATGTTCGTGCTGGAGCAGGAGGAGTACCAGCGT GAGGGCATCCCCTGGACCTTCCTCGACTTTGGCCTCGACCTGCAGCCCTGCATCGACCTC ATCGAGCGGCCGGCCAACCCCCCTGGACTCCTGGCCCTGCTGGATGAGGAGTGCTGGTTC CCGAAGGCCACAGACAAGTCGTTTGTGGAGAAGGTAGCCCAGGAGCAGGGCGGCCACCCC AAGTTCCAGCGGCCGAGGCACCTGCGGGATCAGGCCGACTTCAGTGTTCTCCACTACGCG GGCAAGGTCGACTACAAGGCCAACGAGTGGCTGATGAAAAACATGGACCCTCTGAATGAC AACGTCGCAGCCTTGCTCCACCAGAGCACAGACCGGCTGACGGCAGAGATCTGGAAAGAC GTGGAGGGCATCGTGGGGCTGGAACAGGTGAGCAGCCTGGGCGACGGCCCACCAGGTGGC CGCCCCCGTCGGGGTATGTTCCGGACAGTGGGACAGCTCTACAAGGAGTCCCTGAGCCGC CTCATGGCCACACTCAGCAACACCAACCCCAGTTTTGTCCGGTGCATTGTCCCCAACCAC GAGAAGAGGGCCGGGAAGCTGGAGCCACGGCTGGTGCTGGACCAGCTTCGCTGCAACGGG GTCCTGGAGGGCATCCGCATCTGTCGCCAGGGCTTCCCCAACCGCATCCTCTTCCAGGAG TTCCGGCAGCGATACGAGATCCTGACACCCAATGCCATCCCCAAGGGCTTCATGGATGGG AAGCAGGCCTGTGAAAAGATGATCCAGGCGCTGGAACTGGACCCCAACCTCTACCGCGTG GGACAGAGCAAGATCTTCTTCCGGGCTGGGGTCCTGGCCCAGCTGGAAGAGGAGCGAGAC CTGAAGGTCACCGACATCATCGTCTCCTTCCAGGCAGCTGCCCGGGGATACCTGGCTCGC AGGGCCTTCCAGAAGCGCCAGCAGCAGCAGAGCGCCCTGAGGGTGATGCAGCGGAACTGC GCGGCCTACCTCAAGCTGAGACACTGGCAGTGGTGGCGGCTGTTTACCAAGGTGAAGCCA CTGCTGCAGGTGACGCGGCAGGATGAGGTGCTGCAGGCACGGGCCCAGGAGCTGCAGAAA GTGCAGGAGCTACAGCAGCAGAGCGCCCGCGAAGTTGGGGAGCTCCAGGGCCGAGTGGCA CAGCTGGAAGAGGAGCGCGCCCGCCTGGCAGAGCAATTGCGAGCAGAGGCAGAACTGTGT GCAGAGGCCGAGGAGACGCGGGGGAGGCTGGCAGCCCGCAAGCAGGAGCTGGAGCTGGTG GTGTCAGAGCTGGAGGCTCGCGTGGGCGAGGAGGAGGAGTGCAGCCGTCAAATGCAAACC GAGAAGAAGAGGCTACAGCAGCACATACAGGAGCTAGAGGCCCACCTTGAGGCTGAGGAG GGTGCGCGGCAGAAGCTGCAGCTGGAGAAGGTGACGACAGAGGCAAAAATGAAGAAATTT GAAGAGGACCTGCTGCTCCTGGAAGACCAGAATTCCAAGCTGAGCAAGAGCGGAAGCTGC TGGAAGATCGTCTGGCCGAGTTCTCATCCCAGGCAGCTGAGGAGGAGGAGAAGGTCAAGA GCCTCAATAAGCTACGGCTCAAATATGAGGCCACAATCGCAGACATGGAGGGACCGCCTA CGGAAGGAGGAGAAGGGTCGCCAGGAGCTGGAGAAGCTGAAGCGGAGGCTGGATGGGGAG AGCTCAGAGCTGCAGGAGCAGATGGTGGAGCAGCAACAGCGGGCAGAGGAGCTGCGGGCC CAGCTGGGCCGGAAGGAGGAGGAGCTGCAGGCTGCCCTGGCCAGGGCAGAAGACGAGGGT GGGGCCCGGGCCCAGCTGCTGAAATCCCTGCGGGAGGCTCAAGCAGCCCTGGCCGAGGCC CAGGAGGACCTGGAGTCTGAGCGTGTGGCCAGGACCAAGGCGGAGAAGCAGCGCCGGGAC CTGGGCGAGGAGCTGGAGGCGCTGCGGGGCGAGCTGGAGGACACGCTGGACTCCACCAAC GCACAGCAGGAGCTCCGGTCCAAGAGGGAACAGGAGGTGACGGAGCTGAAGAAGACTCTG GAGGAGGAGACTCGCATCCACGAGGCGGCAGTGCAGGAGCTGAGGCAGCGCCACGGCCAG GCCCTGGGGGAGCTGGCGGAGCAGCTGGAGCAGGCCCGGAGGGGCAAAGGTGCATGGGAG AAGACCCGGCTGGCCCTGGAGGCCGAGGTGTCCGAGCTGCGGGCAGAACTGAGCAGCCTG CAGACTGCACGTCAGGAGGGTGAGCAGCGGAGGCGCCGCCTGGAGTTACAGCTGCAGGAG GTGCAGGGCCGGGCTGGTGATGGGGAGAGGGCACGAGCGGAGGCTGCTGAGAAGCTGCAG CGAGCCCAGGCTGAACTGGAGAATGTGTCTGGGGCGCTGAACGAGGCTGAGTCCAAAACC ATCCGTCTTAGCAAGGAGCTGAGCAGCACAGAAGCCCAGCTGCACGATGCCCAGGAGCTG CTGCAGGAGGAGACCAGGGCGAAATTGGCCTTGGGGTCCCGGGTGCGAGCCATGGAGGCT GAGGCAGCCGGGCTGCGTGAGCAGCTGGAGGAGGAGGCAGCTGCCAGGGAACGGGCGGGC CGTGAACTGCAGACTGCCCAGGCCCAGCTTTCCGAGTGGCGGCGGCGCCAGGAGGAGGAG GCAGGGGCACTGGAGGCAGGGGAGGAGGCACGGCGCCGGGCAGCCCGGGAGGCCGAGGCC CTGACCCAGCGCCTGGCAGAAAAGACAGAGACCGTGGATCGGCTGGAGCGGGGCCGCCGC CGGCTGCAGCAGGAGCTGGACGACGCCACCATGGACCTGGAGCAGCAGCGGCAGCTTGTG AGCACCCTGGAGAAGAAGCAGCGCAAGTTTGACCAGCTTCTGGCAGAGGAGAAGGCAGCT GTACTTCGGGCAGTGGAGGAACGTGAGCGGGCCGAGGCAGAGGGCCGGGAGCGTGAGGCT CGGGCCCTGTCACTGACACGGGCACTGGAGGAGGAGCAGGAGGCACGTGAGGAGCTGGAG CGGCAGAACCGGGCCCTGCGGGCTGAGCTGGAGGCACTGCTGAGCAGCAAGGATGACGTC GGCAAGAGCGTGCATGAGCTGGAACGAGCCTGCCGGGTAGCAGAACAGGCAGCCAATGAT CTGCGAGCACAGGTGACAGAACTGGAGGATGAGCTGACAGCGGCCGAGGATGCCAAGCTG CGTCTGGAGGTGACTGTGCAGGCTCTCAAGACTCAGCATGAGCGTGACCTGCAGGGCCGT GATGAGGCTGGTGAAGAGAGGCGGAGGCAGCTGGCCAAGCAGCTGAGAGATGCAGAGGTG GAGCGGGATGAGGAGCGGAAGCAGCGCACTCTGGCCGTGGCTGCCCGCAAGAAGCTGGAG GGAGAGCTGGAGGAGCTGAAGGCTCAGATGGCCTCTGCCGGCCAGGGCAAGGAGGAGGCG GTGAAGCAGCTTCGCAAGATGCAGGCCCAGATGAAGGAGCTATGGCGGGAGGTGGAGGAG ACACGCACCTCCCGGGAGGAGATCTTCTCCCAGAATCGGGAAAGTGAAAAGCGCCTCAAG GGCCTGGAGGCTGAGGTGCTGCGGCTGCAGGAGGAACTGGCCGCCTCGGACCGTGCTCGG CGGCAGGCCCAGCAGGACCGGGATGAGATGGCAGATGAGGTGGCCAATGGTAACCTTAGC AAGGCAGCCATTCTGGAGGAGAAGCGTCAGCTGGAGGGGCGCCTGGGGCAGTTGGAGGAA GAGCTGGAGGAGGAGCAGAGCAACTCAGAGCTGCTCAATGACCGCTACCGCAAGCTGCTC CTGCAGGTAGAGTCACTGACCACAGAGCTGTCAGCTGAGCGCAGTTTCTCAGCCAAGGCA GAGAGCGGGCGGCAGCAGCTGGAACGGCAGATCCAGGAGCTACGGGGACGCCTGGGTGAG GAGGATGCTGGGGCCCGTGCCCGCCACAAGATGACCATTGCTGCCCTTGAGTCTAAGTTG GCCCAGGCTGAGGAGCAGCTAGAGCAAGAGACCAGAGAGCGCATCCTCTCTGGAAAGCTG GTGCGCAGAGCTGAGAAGCGGCTTAAAGAGGTGGTGCTCCAGGTGGAGGAGGAGCGGAGG GTGGCTGACCAGCTCCGGGACCAGCTGGAGAAGGGAAACCTTCGAGTCAAGCAGCTGAAG CGGCAGCTGGAGGAGGCCGAGGAGGAGGCATCCCGGGCTCAGGCTGGCCGCCGGAGGCTG CAGCGTGAGCTGGAAGATGTCACAGAGTCGGCCGAGTCCATGAACCGTGAAGTGACCACA CTGAGGAACCGGCTTCGACGCGGCCCCCTCACCTTCACCACCCGCACGGTGCGCCAGGTC TTCCGACTAGAGGAGGGCGTGGCATCCGACGAGGAGGCAGAGGAAGCACAGCCTGGGTCT GGGCCATCCCCGGAGCCTGAGGGGTCCCCACCAGCCCACCCCCAGTGA PF00612 IQ PF00063 Myosin_head PF02736 Myosin_N PF01576 Myosin_tail_1 component myosin component protein complex function ATP binding function motor activity function binding function nucleotide binding function purine nucleotide binding function adenyl nucleotide binding "

All properties reside in the graph file:///home/swish/src/ClioPatria/guidelines3/drugbank_small.nt

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