Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB07980"

Predicate	Value (sorted: default)
rdfs:label	"(2E)-1-[(6-chloropyridin-3-yl)methyl]-N-nitroimidazolidin-2-imine"
rdf:type	drugbank:drugs
drugbank:description	" experimental This compound belongs to the pyridines and derivatives. These are compounds containing a pyridine ring, which is a six-member aromatic heterocycle which consists of one nitrogen atom and five carbon atoms. Pyridines and Derivatives Organic Compounds Heterocyclic Compounds Pyridines and Derivatives Aryl Chlorides Imidazolidines Nitro Compounds Tertiary Amines Guanidines Polyamines Imines Organochlorides imidazolidine nitro compound tertiary amine guanidine polyamine organochloride organohalogen imine amine organonitrogen compound logP 0.65 ALOGPS logS -2.9 ALOGPS Water Solubility 3.46e-01 g/l ALOGPS logP 0.76 ChemAxon IUPAC Name 2-chloro-5-{[(2E)-2-(nitroimino)imidazolidin-1-yl]methyl}pyridine ChemAxon Traditional IUPAC Name imidacloprid ChemAxon Molecular Weight 255.661 ChemAxon Monoisotopic Weight 255.052302296 ChemAxon SMILES [O-][N+](=O)\N=C1/NCCN1CC1=CN=C(Cl)C=C1 ChemAxon Molecular Formula C9H10ClN5O2 ChemAxon InChI InChI=1S/C9H10ClN5O2/c10-8-2-1-7(5-12-8)6-14-4-3-11-9(14)13-15(16)17/h1-2,5H,3-4,6H2,(H,11,13) ChemAxon InChIKey InChIKey=YWTYJOPNNQFBPC-UHFFFAOYSA-N ChemAxon Polar Surface Area (PSA) 86.34 ChemAxon Refractivity 63.55 ChemAxon Polarizability 23.28 ChemAxon Rotatable Bond Count 3 ChemAxon H Bond Acceptor Count 6 ChemAxon H Bond Donor Count 1 ChemAxon pKa (strongest basic) 2.5 ChemAxon Physiological Charge 0 ChemAxon Number of Rings 2 ChemAxon Bioavailability 1 ChemAxon Rule of Five true ChemAxon Ghose Filter true ChemAxon PubChem Compound 86418 PubChem Substance 99444451 ChemSpider 77934 PDB IM4 BE0003963 CHRNA7-FAM7A fusion protein 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 CHRNA7-FAM7A fusion protein Involved in extracellular ligand-gated ion channel acti CHRFAM7A 15q13.1 Membrane 144-164 172-192 205-225 240-254 380-400 6.55 46217.3 Human HUGO Gene Nomenclature Committee (HGNC) GNC:15781 GeneCards CHRFAM7A GenBank Gene Database AK292984 GenBank Protein Database 158259429 UniProtKB Q494W8 UniProt Accession CRFM7_HUMAN CHRNA7-DR1 D-10 >CHRNA7-FAM7A fusion protein MQKYCIYQHFQFQLLIQHLWIAANCDIADERFDATFHTNVLVNSSGHCQYLPPGIFKSSC YIDVRWFPFDVQHCKLKFGSWSYGGWSLDLQMQEADISGYIPNGEWDLVGIPGKRSERFY ECCKEPYPDVTFTVTMRRRTLYYGLNLLIPCVLISALALLVFLLPADSGEKISLGITVLL SLTVFMLLVAEIMPATSDSVPLIAQYFASTMIIVGLSVVVTVIVLQYHHHDPDGGKMPKW TRVILLNWCAWFLRMKRPGEDKVRPACQHKQRRCSLASVEMSAVAPPPASNGNLLYIGFR GLDGVHCVPTPDSGVVCGRMACSPTHDEHLLHGGQPPEGDPDLAKILEEVRYIANRFRCQ DESEAVCSEWKFAACVVDRLCLMAFSVFTIICTIGILMSAPNFVEAVSKDFA >1239 bp ATGCAAAAATATTGCATCTACCAGCATTTTCAGTTCCAATTGCTAATCCAGCATTTGTGG ATAGCTGCAAACTGTGATATTGCTGATGAGCGCTTTGACGCCACATTCCACACTAACGTG TTGGTGAATTCTTCTGGGCATTGCCAGTACCTGCCTCCAGGCATATTCAAGAGTTCCTGC TACATCGATGTACGCTGGTTTCCCTTTGATGTGCAGCACTGCAAACTGAAGTTTGGGTCC TGGTCTTACGGAGGCTGGTCCTTGGATCTGCAGATGCAGGAGGCAGATATCAGTGGCTAT ATCCCCAATGGAGAATGGGACCTAGTGGGAATCCCCGGCAAGAGGAGTGAAAGGTTCTAT GAGTGCTGCAAAGAGCCCTACCCTGATGTCACCTTCACAGTGACCATGCGCCGCAGGACA CTCTACTATGGCCTCAACCTGCTGATCCCCTGTGTGCTCATCTCCGCCCTCGCCCTGCTG GTGTTCCTGCTTCCTGCAGATTCCGGGGAGAAGATTTCCCTGGGGATAACAGTCTTACTC TCTCTTACCGTCTTCATGCTGCTCGTGGCTGAGATCATGCCCGCAACATCCGATTCGGTA CCATTGATAGCCCAGTACTTCGCCAGCACCATGATCATCGTGGGCCTCTCGGTGGTGGTG ACGGTGATCGTGCTGCAGTACCACCACCACGACCCCGACGGGGGCAAGATGCCCAAGTGG ACCAGAGTCATCCTTCTGAACTGGTGCGCGTGGTTCCTGCGAATGAAGAGGCCCGGGGAG GACAAGGTGCGCCCGGCCTGCCAGCACAAGCAGCGGCGCTGCAGCCTGGCCAGTGTGGAG ATGAGCGCCGTGGCGCCGCCGCCCGCCAGCAACGGGAACCTGCTGTACATCGGCTTCCGC GGCCTGGACGGCGTGCACTGTGTCCCGACCCCCGACTCTGGGGTAGTGTGTGGCCGCATG GCCTGCTCCCCCACGCACGATGAGCACCTCCTGCACGGTGGGCAACCCCCCGAGGGGGAC CCGGACTTGGCCAAGATCCTGGAGGAGGTCCGCTACATTGCCAACCGCTTCCGCTGCCAG GACGAAAGCGAGGCGGTCTGCAGCGAGTGGAAGTTCGCCGCCTGTGTGGTGGACCGCCTG TGCCTCATGGCCTTCTCGGTCTTCACCATCATCTGCACCATCGGCATCCTGATGTCGGCT CCCAACTTCGTGGAGGCCGTGTCCAAAGACTTTGCGTAA PF02931 Neur_chan_LBD PF02932 Neur_chan_memb component cell component postsynaptic membrane component intrinsic to membrane component integral to membrane component membrane function receptor activity function transporter activity function ligand-gated ion channel activity function extracellular ligand-gated ion channel activity function neurotransmitter receptor activity function ion transporter activity function ion channel activity function signal transducer activity process cellular physiological process process transport process ion transport process physiological process "

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

The resource does not appear as an object

Context graph