1273358

Source:http://linkedlifedata.com/resource/chembl/compound/1273358

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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/C27H30ClN3O/c1-27(24-11-16-29-17-12-24,23-7-9-25(28)10-8-23)30-26(32)15-20-31-18-13-22(14-19-31)21-5-3-2-4-6-21/h2-12,16-17,22H,13-15,18-20H2,1H3,(H,30,32)
chemicalCompound:standardIn...	ZYPYRTNKOSHLCU-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(NC(=O)CCN1CCC(CC1)c2ccccc2)(c3ccncc3)c4ccc(Cl)cc4
chemicalCompound:molecularF...	C27H30ClN3O
chemicalCompound:moleculeId	1273358
chemicalCompound:mwFreebase	448
chemicalCompound:alogp	4.743
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	45.23
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.133
chemicalCompound:acdLogP	4.957
chemicalCompound:acdLogD	4.197
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	448
chemicalCompound:acdMostBpk...	8.313
chemicalCompound:chemblId	CHEMBL1938523
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1373358
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:8008596