282670

Source:http://linkedlifedata.com/resource/chembl/compound/282670

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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/C33H38N2O7S2/c1-20-17-29(43-30-28(38)19-33(6,42-31(30)39)16-15-22-7-11-24(37)12-8-22)26(32(3,4)5)18-27(20)35-44(40,41)25-13-9-23(10-14-25)34-21(2)36/h7-14,17-18,35,37,39H,15-16,19H2,1-6H3,(H,34,36)
chemicalCompound:standardIn...	ZVAYUHKZJZHKSM-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(=O)Nc1ccc(cc1)S(=O)(=O)Nc2cc(c(SC3=C(O)OC(C)(CCc4ccc(O)cc4)CC3=O)cc2C)C(C)(C)C
chemicalCompound:molecularF...	C33 H38 N2 O7 S2
chemicalCompound:moleculeId	282670
chemicalCompound:mwFreebase	638.794
chemicalCompound:alogp	6.011
chemicalCompound:hba	8
chemicalCompound:hbd	4
chemicalCompound:psa	175.7
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	4.5
chemicalCompound:acdLogP	4.939
chemicalCompound:acdLogD	2.122
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	638.794
chemicalCompound:chemblId	CHEMBL92476
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:382670
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:409480, activity:409481