965415

Source:http://linkedlifedata.com/resource/chembl/compound/965415

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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/C23H20ClN3O2S/c1-16-5-2-3-7-21(16)27-23(30-15-17-8-10-18(24)11-9-17)20(13-25)22(28)26-14-19-6-4-12-29-19/h2-12,27H,14-15H2,1H3,(H,26,28)/b23-20+
chemicalCompound:standardIn...	KMKVIZIVVPUGGP-BSYVCWPDSA-N
chemicalCompound:canonicalS...	Cc1ccccc1N\C(=C(\C#N)/C(=O)NCc2occc2)\SCc3ccc(Cl)cc3
chemicalCompound:molecularF...	C23H20ClN3O2S
chemicalCompound:moleculeId	965415
chemicalCompound:mwFreebase	437.942
chemicalCompound:alogp	5.408
chemicalCompound:hba	4
chemicalCompound:hbd	2
chemicalCompound:psa	103.36
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	10.267
chemicalCompound:acdLogP	4.309
chemicalCompound:acdLogD	4.309
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	437.942
chemicalCompound:chemblId	CHEMBL1541531
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1065415
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:3651991, activity:3758098, activity:3797557, activity:4940747, activity:5352793, activity:5482397, activity:5940338, activity:6427943, activity:6695536, activity:7079607, activity:7365975, activity:7452624, activity:10466185, activity:10788558