1159090

Source:http://linkedlifedata.com/resource/chembl/compound/1159090

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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/C26H32ClN3O3/c1-26(20-7-4-3-5-8-20)18-24(31)30(25(32)19-26)12-6-11-28-13-15-29(16-14-28)22-17-21(27)9-10-23(22)33-2/h3-5,7-10,17H,6,11-16,18-19H2,1-2H3
chemicalCompound:standardIn...	KCBGUGDNPBJJQV-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1ccc(Cl)cc1N2CCN(CCCN3C(=O)CC(C)(CC3=O)c4ccccc4)CC2
chemicalCompound:molecularF...	C26H32ClN3O3
chemicalCompound:moleculeId	1159090
chemicalCompound:mwFreebase	470.004
chemicalCompound:alogp	3.838
chemicalCompound:hba	5
chemicalCompound:hbd	0
chemicalCompound:psa	53.09
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	4.247
chemicalCompound:acdLogD	4.121
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	470.004
chemicalCompound:acdMostBpk...	7.525
chemicalCompound:chemblId	CHEMBL1796045
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1259090
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:6264442, activity:6264443, activity:6264444