529252

Source:http://linkedlifedata.com/resource/chembl/compound/529252

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:529345
chemicalCompound:standardIn...	InChI=1S/C27H30ClN3O.C2HF3O2/c28-25-8-4-7-23(17-25)19-30-27(32)24-11-9-21(10-12-24)18-29-26-13-15-31(16-14-26)20-22-5-2-1-3-6-22;3-2(4,5)1(6)7/h1-12,17,26,29H,13-16,18-20H2,(H,30,32);(H,6,7)
chemicalCompound:standardIn...	IBMVTDLZVFQBIK-UHFFFAOYSA-N
chemicalCompound:canonicalS...	OC(=O)C(F)(F)F.Clc1cccc(CNC(=O)c2ccc(CNC3CCN(Cc4ccccc4)CC3)cc2)c1
chemicalCompound:molecularF...	C29H31ClF3N3O3
chemicalCompound:moleculeId	529252
chemicalCompound:mwFreebase	448
chemicalCompound:alogp	4.518
chemicalCompound:hba	3
chemicalCompound:hbd	2
chemicalCompound:psa	44.37
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	4.514
chemicalCompound:acdLogD	3.045
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	562.023
chemicalCompound:acdMostBpk...	8.688
chemicalCompound:chemblId	CHEMBL526958
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:629252
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:2819317, activity:2831430, activity:2837848, activity:2850671, activity:2862323, activity:2887651