954288

Source:http://linkedlifedata.com/resource/chembl/compound/954288

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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/C19H19N3OS/c23-18(12-24-19-21-16-9-3-4-10-17(16)22-19)20-15-11-5-7-13-6-1-2-8-14(13)15/h1-4,6,8-10,15H,5,7,11-12H2,(H,20,23)(H,21,22)
chemicalCompound:standardIn...	WAFMSBTYJSTFGL-UHFFFAOYSA-N
chemicalCompound:canonicalS...	O=C(CSc1nc2ccccc2[nH]1)NC3CCCc4ccccc34
chemicalCompound:molecularF...	C19H19N3OS
chemicalCompound:moleculeId	954288
chemicalCompound:mwFreebase	337.439
chemicalCompound:alogp	4.088
chemicalCompound:hba	3
chemicalCompound:hbd	2
chemicalCompound:psa	83.08
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	10.613
chemicalCompound:acdLogP	3.371
chemicalCompound:acdLogD	3.37
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	337.439
chemicalCompound:acdMostBpk...	4.303
chemicalCompound:chemblId	CHEMBL1530404
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1054288
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:4549730, activity:4610092, activity:5095997, activity:5499166, activity:5502567, activity:5871264, activity:6508705, activity:6761915, activity:7070348, activity:7468297