230191

Source:http://linkedlifedata.com/resource/chembl/compound/230191

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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/C31H31N5O3S/c1-39-31(38)29(13-14-40-2)35-30(37)27-12-11-25(16-28(27)24-9-4-3-5-10-24)34-19-26-18-33-21-36(26)20-23-8-6-7-22(15-23)17-32/h3-12,15-16,18,21,29,34H,13-14,19-20H2,1-2H3,(H,35,37)/t29-/m0/s1
chemicalCompound:standardIn...	MPWNTLAGLMZGRW-LJAQVGFWSA-N
chemicalCompound:canonicalS...	COC(=O)[C@H](CCSC)NC(=O)c1ccc(NCc2cncn2Cc3cccc(c3)C#N)cc1c4ccccc4
chemicalCompound:molecularF...	C31 H31 N5 O3 S
chemicalCompound:moleculeId	230191
chemicalCompound:mwFreebase	553.674
chemicalCompound:alogp	4.1
chemicalCompound:hba	7
chemicalCompound:hbd	2
chemicalCompound:psa	134.34
chemicalCompound:rtb	13
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.003
chemicalCompound:acdLogP	2.78
chemicalCompound:acdLogD	2.762
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	553.674
chemicalCompound:acdMostBpk...	5.979
chemicalCompound:chemblId	CHEMBL342035
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:330191
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:1217556, activity:1217557, activity:1217558, activity:1217559