276413

Source:http://linkedlifedata.com/resource/chembl/compound/276413

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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/C27H36N2O4S/c1-18(30)33-25-23(19-8-10-21(32-7)11-9-19)17-20-16-22(34-27(2,3)4)12-13-24(20)29(26(25)31)15-14-28(5)6/h8-13,16,23,25H,14-15,17H2,1-7H3/t23-,25+/m0/s1
chemicalCompound:standardIn...	WAKMKQKKUYRNAA-UKILVPOCSA-N
chemicalCompound:canonicalS...	COc1ccc(cc1)[C@@H]2Cc3cc(SC(C)(C)C)ccc3N(CCN(C)C)C(=O)[C@@H]2OC(=O)C
chemicalCompound:molecularF...	C27 H36 N2 O4 S
chemicalCompound:moleculeId	276413
chemicalCompound:mwFreebase	484.651
chemicalCompound:alogp	4.476
chemicalCompound:hba	6
chemicalCompound:hbd	0
chemicalCompound:psa	84.38
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	5.437
chemicalCompound:acdLogD	4.059
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	484.651
chemicalCompound:acdMostBpk...	8.937
chemicalCompound:chemblId	CHEMBL354088
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:376413
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:650466, activity:650467, activity:650468, activity:650469, activity:650470