763158

Source:http://linkedlifedata.com/resource/chembl/compound/763158

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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/C22H22ClN3O3/c23-19-8-4-2-6-17(19)9-12-24-20(27)10-13-25-21(28)15-26-14-11-16-5-1-3-7-18(16)22(26)29/h1-8,11,14H,9-10,12-13,15H2,(H,24,27)(H,25,28)
chemicalCompound:standardIn...	NQHNMRKICNOGNS-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Clc1ccccc1CCNC(=O)CCNC(=O)CN2C=Cc3ccccc3C2=O
chemicalCompound:molecularF...	C22H22ClN3O3
chemicalCompound:moleculeId	763158
chemicalCompound:mwFreebase	411.881
chemicalCompound:alogp	1.869
chemicalCompound:hba	3
chemicalCompound:hbd	2
chemicalCompound:psa	78.51
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	2.378
chemicalCompound:acdLogD	2.378
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	411.881
chemicalCompound:chemblId	CHEMBL1339274
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:863158
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:3872967, activity:3982113, activity:4079869, activity:4204724, activity:4412142, activity:4603370, activity:4734197, activity:4799696, activity:7505003, activity:10581405