1281173

Source:http://linkedlifedata.com/resource/chembl/compound/1281173

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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/C22H16ClFO3S/c23-19-10-8-18(9-11-19)22(25)21(14-16-6-12-20(24)13-7-16)28(26,27)15-17-4-2-1-3-5-17/h1-14H,15H2/b21-14+
chemicalCompound:standardIn...	VRMBHRDMKQRGGU-KGENOOAVSA-N
chemicalCompound:canonicalS...	Fc1ccc(\C=C(/C(=O)c2ccc(Cl)cc2)\S(=O)(=O)Cc3ccccc3)cc1
chemicalCompound:molecularF...	C22H16ClFO3S
chemicalCompound:moleculeId	1281173
chemicalCompound:mwFreebase	414.877
chemicalCompound:alogp	5.385
chemicalCompound:hba	3
chemicalCompound:hbd	0
chemicalCompound:psa	59.59
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	4.181
chemicalCompound:acdLogD	4.181
chemicalCompound:fullMwt	414.877
chemicalCompound:chemblId	CHEMBL1952179
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1381173
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:8038386, activity:8039337, activity:8039342, activity:8039345