16902

Source:http://linkedlifedata.com/resource/chembl/compound/16902

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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/C20H28N2O3S/c1-8-25-22-18-21-17(24)15(26-18)11-12-9-13(19(2,3)4)16(23)14(10-12)20(5,6)7/h9-11,23H,8H2,1-7H3,(H,21,22,24)/b15-11-
chemicalCompound:standardIn...	IXDUROHDYNKQNR-PTNGSMBKSA-N
chemicalCompound:canonicalS...	CCONC1=NC(=O)\C(=C\c2cc(c(O)c(c2)C(C)(C)C)C(C)(C)C)\S1
chemicalCompound:molecularF...	C20 H28 N2 O3 S
chemicalCompound:moleculeId	16902
chemicalCompound:mwFreebase	376.513
chemicalCompound:alogp	4.956
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	96.22
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.984
chemicalCompound:acdLogP	5.013
chemicalCompound:acdLogD	5.011
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	376.513
chemicalCompound:chemblId	CHEMBL16272
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:116902
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:407165, activity:407166, activity:407167, activity:407168