257647

Source:http://linkedlifedata.com/resource/chembl/compound/257647

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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/C29H32N2O/c1-22(2)31(23(3)4)19-20-32-27-17-15-24(16-18-27)28(21-30)29(25-11-7-5-8-12-25)26-13-9-6-10-14-26/h5-18,22-23H,19-20H2,1-4H3
chemicalCompound:standardIn...	VKHBQZGQYPUTBX-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(C)N(CCOc1ccc(cc1)C(=C(c2ccccc2)c3ccccc3)C#N)C(C)C
chemicalCompound:molecularF...	C29 H32 N2 O
chemicalCompound:moleculeId	257647
chemicalCompound:mwFreebase	424.577
chemicalCompound:alogp	6.708
chemicalCompound:hba	3
chemicalCompound:hbd	0
chemicalCompound:psa	36.26
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	5.383
chemicalCompound:acdLogD	3.085
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	424.577
chemicalCompound:acdMostBpk...	9.769
chemicalCompound:chemblId	CHEMBL155591
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:357647
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:889758, activity:889759, activity:889760, activity:889761, activity:889762, activity:889763, activity:889764, activity:889765, activity:889766, activity:889767, activity:889768, activity:889769, activity:889770