156737

Source:http://linkedlifedata.com/resource/chembl/compound/156737

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C22H22N2O3S/c1-2-20(17-11-5-3-6-12-17)23-22(25)19-15-9-10-16-21(19)24-28(26,27)18-13-7-4-8-14-18/h3-16,20,24H,2H2,1H3,(H,23,25)/t20-/m0/s1
chemicalCompound:standardIn...	MGKAPEVPYAJTIH-FQEVSTJZSA-N
chemicalCompound:canonicalS...	CC[C@H](NC(=O)c1ccccc1NS(=O)(=O)c2ccccc2)c3ccccc3
chemicalCompound:molecularF...	C22 H22 N2 O3 S
chemicalCompound:moleculeId	156737
chemicalCompound:mwFreebase	394.487
chemicalCompound:alogp	4.01
chemicalCompound:hba	3
chemicalCompound:hbd	2
chemicalCompound:psa	83.65
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	7.903
chemicalCompound:acdLogP	4.356
chemicalCompound:acdLogD	4.217
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	394.487
chemicalCompound:chemblId	CHEMBL316891
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:256737
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:306937, activity:306938