760763

Source:http://linkedlifedata.com/resource/chembl/compound/760763

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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/C21H24ClN3O/c1-13-7-14(2)12-25(11-13)21-23-10-17-19(24-21)8-15(9-20(17)26)16-5-3-4-6-18(16)22/h3-6,10,13-15H,7-9,11-12H2,1-2H3
chemicalCompound:standardIn...	XXOJCYWPOYETKL-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC1CC(C)CN(C1)c2ncc3C(=O)CC(Cc3n2)c4ccccc4Cl
chemicalCompound:molecularF...	C21H24ClN3O
chemicalCompound:moleculeId	760763
chemicalCompound:mwFreebase	369.888
chemicalCompound:alogp	4.147
chemicalCompound:hba	4
chemicalCompound:hbd	0
chemicalCompound:psa	46.09
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.869
chemicalCompound:acdLogD	2.869
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	369.888
chemicalCompound:acdMostBpk...	2.077
chemicalCompound:chemblId	CHEMBL1336879
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:860763
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:3621012, activity:3769167, activity:3917026, activity:4008842, activity:4255735, activity:4784528, activity:4945604, activity:4990303, activity:5010768, activity:5400154, activity:5594972, activity:6567850, activity:6682618, activity:6793484, activity:7140610, activity:7265546, activity:7319775, activity:7520044