497280

Source:http://linkedlifedata.com/resource/chembl/compound/497280

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C29H30N2O8S2/c1-39-21-9-5-11-23(16-21)41(37,38)31(17-22-10-6-12-40-22)18-27(34)24(13-19-7-3-2-4-8-19)30-29(36)20-14-25(32)28(35)26(33)15-20/h2-12,14-16,24,27,32-35H,13,17-18H2,1H3,(H,30,36)/t24-,27+/m0/s1
chemicalCompound:standardIn...	HMHGIATWADZPSG-RPLLCQBOSA-N
chemicalCompound:canonicalS...	COc1cccc(c1)S(=O)(=O)N(C[C@@H](O)[C@H](Cc2ccccc2)NC(=O)c3cc(O)c(O)c(O)c3)Cc4cccs4
chemicalCompound:molecularF...	C29H30N2O8S2
chemicalCompound:moleculeId	497280
chemicalCompound:mwFreebase	598.687
chemicalCompound:alogp	3.807
chemicalCompound:hba	8
chemicalCompound:hbd	5
chemicalCompound:psa	193.24
chemicalCompound:rtb	12
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	8.148
chemicalCompound:acdLogP	4.708
chemicalCompound:acdLogD	4.583
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	598.687
chemicalCompound:chemblId	CHEMBL473461
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:597280
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:activity	activity:2496879, activity:2496992