33787

Source:http://linkedlifedata.com/resource/chembl/compound/33787

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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/C28H22ClNOS/c29-24-13-7-12-22(16-24)23-14-15-26-25(17-23)28(31-27(32)30-26,18-20-8-3-1-4-9-20)19-21-10-5-2-6-11-21/h1-17H,18-19H2,(H,30,32)
chemicalCompound:standardIn...	FNXHYOFYGFDMGS-UHFFFAOYSA-N
chemicalCompound:canonicalS...	SC1=Nc2ccc(cc2C(Cc3ccccc3)(Cc4ccccc4)O1)c5cccc(Cl)c5
chemicalCompound:molecularF...	C28 H22 Cl N O S
chemicalCompound:moleculeId	33787
chemicalCompound:mwFreebase	455.998
chemicalCompound:alogp	8.508
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	60.39
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	-7.245
chemicalCompound:acdLogP	7.552
chemicalCompound:acdLogD	5.941
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	455.998
chemicalCompound:chemblId	CHEMBL277644
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:133787
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:277805