910415

Source:http://linkedlifedata.com/resource/chembl/compound/910415

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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/C15H14N2O2S/c1-3-19-14(18)9-20-15-12(8-16)7-11-6-10(2)4-5-13(11)17-15/h4-7H,3,9H2,1-2H3
chemicalCompound:standardIn...	ASBDPVKYQKFTAG-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCOC(=O)CSc1nc2ccc(C)cc2cc1C#N
chemicalCompound:molecularF...	C15H14N2O2S
chemicalCompound:moleculeId	910415
chemicalCompound:mwFreebase	286.349
chemicalCompound:alogp	3.518
chemicalCompound:hba	5
chemicalCompound:hbd	0
chemicalCompound:psa	88.28
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.95
chemicalCompound:acdLogD	2.95
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	286.349
chemicalCompound:chemblId	CHEMBL1486531
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1010415
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:3802898, activity:3832930, activity:3872997, activity:4009183, activity:4204820, activity:4590976, activity:4732018, activity:4847842, activity:4974591, activity:5335598, activity:5540522, activity:5652193, activity:5804381, activity:5871366, activity:6464632, activity:6716239, activity:7021703, activity:7165363, activity:7232867, activity:7362962, activity:7414213, activity:7439289, activity:7508526