527007

Source:http://linkedlifedata.com/resource/chembl/compound/527007

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
chemicalCompound:standardIn...	InChI=1S/C27H30ClN3O/c1-21-4-2-5-23(18-21)20-31-15-3-14-30(16-17-31)19-22-6-8-24(9-7-22)27(32)29-26-12-10-25(28)11-13-26/h2,4-13,18H,3,14-17,19-20H2,1H3,(H,29,32)
chemicalCompound:standardIn...	DYMPEUBOENVHAH-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1cccc(CN2CCCN(Cc3ccc(cc3)C(=O)Nc4ccc(Cl)cc4)CC2)c1
chemicalCompound:molecularF...	C27H30ClN3O
chemicalCompound:moleculeId	527007
chemicalCompound:mwFreebase	448
chemicalCompound:alogp	5.442
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	35.58
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.772
chemicalCompound:acdLogP	4.116
chemicalCompound:acdLogD	2.881
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	448
chemicalCompound:acdMostBpk...	8.566
chemicalCompound:chemblId	CHEMBL528184
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:627007
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No