1168107

Source:http://linkedlifedata.com/resource/chembl/compound/1168107

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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/c1-3-4-5-6-8-22-16-20(15-19-10-12-21(28)13-11-19)24(30-22)17-26-27(32-2)18-25(31-26)23-9-7-14-29-23/h7,9-14,16-18,29-30H,3-6,8,15H2,1-2H3/b26-17-
chemicalCompound:standardIn...	AKJWUBPFPZDGAR-ONUIUJJFSA-N
chemicalCompound:canonicalS...	CCCCCCc1cc(Cc2ccc(Cl)cc2)c(\C=C\3/N=C(C=C3OC)c4ccc[nH]4)[nH]1
chemicalCompound:molecularF...	C27H30ClN3O
chemicalCompound:moleculeId	1168107
chemicalCompound:mwFreebase	448
chemicalCompound:alogp	7.615
chemicalCompound:hba	2
chemicalCompound:hbd	2
chemicalCompound:psa	53.16
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	8.983
chemicalCompound:acdLogD	8.764
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	448
chemicalCompound:acdMostBpk...	7.89
chemicalCompound:chemblId	CHEMBL1813077
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1268107
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:6318323, activity:6318380, activity:6318437, activity:6318460, activity:6318469, activity:6318476, activity:6318483