431802

Source:http://linkedlifedata.com/resource/chembl/compound/431802

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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/C27H32N2O3/c1-3-18-31-25-12-11-23-21(2)19-26(30)32-27(23)24(25)20-29-16-14-28(15-17-29)13-7-10-22-8-5-4-6-9-22/h4-12,19H,3,13-18,20H2,1-2H3/b10-7+
chemicalCompound:standardIn...	DSLKASRUFQOCAM-JXMROGBWSA-N
chemicalCompound:canonicalS...	CCCOc1ccc2C(=CC(=O)Oc2c1CN3CCN(C\C=C\c4ccccc4)CC3)C
chemicalCompound:molecularF...	C27 H32 N2 O3
chemicalCompound:moleculeId	431802
chemicalCompound:mwFreebase	432.555
chemicalCompound:alogp	5.284
chemicalCompound:hba	5
chemicalCompound:hbd	0
chemicalCompound:psa	42.01
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	5.337
chemicalCompound:acdLogD	5.165
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	432.555
chemicalCompound:acdMostBpk...	7.046
chemicalCompound:chemblId	CHEMBL261412
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:531802
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:2135168, activity:2135268, activity:2135285, activity:2135383, activity:2135453, activity:2135517, activity:2135581, activity:2135645, activity:2135709