Local view for "http://wifo5-04.informatik.uni-mannheim.de/drugbank/resource/drugs/DB07293"

Predicate	Value (sorted: none)
drugbank:description	" experimental This compound belongs to the benzyloxycarbonyls. These are organic compounds containing a carbonyl group substituted with a benzyloxyl group. Benzyloxycarbonyls Organic Compounds Benzenoids Benzene and Substituted Derivatives Benzyloxycarbonyls Benzylethers Ketones Carbamic Acids and Derivatives Ethers Enolates Polyamines carbamic acid derivative ketone polyamine ether enolate amine carbonyl group organonitrogen compound logP 0.89 ALOGPS logS -2.7 ALOGPS Water Solubility 3.98e-01 g/l ALOGPS logP 1.34 ChemAxon IUPAC Name benzyl N-(2-oxopropyl)carbamate ChemAxon Traditional IUPAC Name benzyl N-(2-oxopropyl)carbamate ChemAxon Molecular Weight 207.2258 ChemAxon Monoisotopic Weight 207.089543287 ChemAxon SMILES CC(=O)CNC(=O)OCC1=CC=CC=C1 ChemAxon Molecular Formula C11H13NO3 ChemAxon InChI InChI=1S/C11H13NO3/c1-9(13)7-12-11(14)15-8-10-5-3-2-4-6-10/h2-6H,7-8H2,1H3,(H,12,14) ChemAxon InChIKey InChIKey=GVRXLHLFAABVLJ-UHFFFAOYSA-N ChemAxon Polar Surface Area (PSA) 55.4 ChemAxon Refractivity 55.23 ChemAxon Polarizability 21.7 ChemAxon Rotatable Bond Count 5 ChemAxon H Bond Acceptor Count 2 ChemAxon H Bond Donor Count 1 ChemAxon pKa (strongest acidic) 13.78 ChemAxon pKa (strongest basic) -7.6 ChemAxon Physiological Charge 0 ChemAxon Number of Rings 1 ChemAxon Bioavailability 1 ChemAxon Rule of Five true ChemAxon Ghose Filter true ChemAxon PubChem Compound 22747857 PubChem Substance 99443764 ChemSpider 11624889 PDB 959 BE0003801 Replicase polyprotein 1ab SARS-CoV # 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 Replicase polyprotein 1ab rep SARS-CoV UniProtKB P0C6X7 UniProt Accession R1AB_CVHSA "
rdf:type	drugbank:drugs
rdfs:label	"benzyl (2-oxopropyl)carbamate"

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

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