626938

Source:http://linkedlifedata.com/resource/chembl/compound/626938

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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/C20H20N2OS/c1-14-8-6-7-11-17(14)13-24-20-21-18(15(2)19(23)22-20)12-16-9-4-3-5-10-16/h3-11H,12-13H2,1-2H3,(H,21,22,23)
chemicalCompound:standardIn...	DYQAQGJNXIRGRZ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC1=C(Cc2ccccc2)N=C(NC1=O)SCc3ccccc3C
chemicalCompound:molecularF...	C20H20N2OS
chemicalCompound:moleculeId	626938
chemicalCompound:mwFreebase	336.451
chemicalCompound:alogp	5.04
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	66.76
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	8.088
chemicalCompound:acdLogP	4.437
chemicalCompound:acdLogD	4.356
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	336.451
chemicalCompound:acdMostBpk...	1.09
chemicalCompound:chemblId	CHEMBL1096335
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:726938
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:3280724, activity:3280735, activity:3280755