493877

Source:http://linkedlifedata.com/resource/chembl/compound/493877

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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/C21H23N5O2S/c1-4-25-12-14(11-22-25)13-5-6-17-16(9-13)26(7-8-28-17)20-23-15-10-21(2,3)24-19(27)18(15)29-20/h5-6,9,11-12H,4,7-8,10H2,1-3H3,(H,24,27)
chemicalCompound:standardIn...	MCJNEAINIUUCDR-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCn1cc(cn1)c2ccc3OCCN(c3c2)c4nc5CC(C)(C)NC(=O)c5s4
chemicalCompound:molecularF...	C21H23N5O2S
chemicalCompound:moleculeId	493877
chemicalCompound:mwFreebase	409.505
chemicalCompound:alogp	2.564
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	100.51
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.59
chemicalCompound:acdLogP	3.196
chemicalCompound:acdLogD	3.196
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	409.505
chemicalCompound:acdMostBpk...	2.227
chemicalCompound:chemblId	CHEMBL521721
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:593877
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:2260582, activity:2260583, activity:2260584, activity:2260585, activity:2260586, activity:2260587, activity:2260588, activity:2260589