102656

Source:http://linkedlifedata.com/resource/chembl/compound/102656

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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/C27H28N2O2/c1-3-29(4-2)18-19-31-25-16-12-23(13-17-25)27(22-10-14-24(30)15-11-22)26(20-28)21-8-6-5-7-9-21/h5-17,30H,3-4,18-19H2,1-2H3/b27-26-
chemicalCompound:standardIn...	QWYOSTLQEBZKOH-RQZHXJHFSA-N
chemicalCompound:canonicalS...	CCN(CC)CCOc1ccc(cc1)\C(=C(\C#N)/c2ccccc2)\c3ccc(O)cc3
chemicalCompound:molecularF...	C27 H28 N2 O2
chemicalCompound:moleculeId	102656
chemicalCompound:mwFreebase	412.523
chemicalCompound:alogp	5.711
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	56.49
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.362
chemicalCompound:acdLogP	4.469
chemicalCompound:acdLogD	2.32
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	412.523
chemicalCompound:acdMostBpk...	9.611
chemicalCompound:chemblId	CHEMBL63877
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:202656
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:602178, activity:602179, activity:602180, activity:602181, activity:602182, activity:602183, activity:602184, activity:602185, activity:602186, activity:602187, activity:602188, activity:602189, activity:602190, activity:889654, activity:889655, activity:889656, activity:889657, activity:889658, activity:889659, activity:907266