95307

Source:http://linkedlifedata.com/resource/chembl/compound/95307

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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/C21H21ClN2O2/c22-17-8-5-16(6-9-17)21(26)23-13-11-18(12-14-23)24-19-4-2-1-3-15(19)7-10-20(24)25/h1-6,8-9,18H,7,10-14H2
chemicalCompound:standardIn...	SBJQLCPBPIRNBV-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Clc1ccc(cc1)C(=O)N2CCC(CC2)N3C(=O)CCc4ccccc34
chemicalCompound:molecularF...	C21 H21 Cl N2 O2
chemicalCompound:moleculeId	95307
chemicalCompound:mwFreebase	368.857
chemicalCompound:alogp	3.18
chemicalCompound:hba	2
chemicalCompound:hbd	0
chemicalCompound:psa	40.62
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.909
chemicalCompound:acdLogD	3.909
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	368.857
chemicalCompound:acdMostBpk...	1.007
chemicalCompound:chemblId	CHEMBL64811
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:195307
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:1286052, activity:1286053