141514

Source:http://linkedlifedata.com/resource/chembl/compound/141514

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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/C32H29NO4/c1-4-36-31(34)28-23(3)33-30(26-13-9-6-10-14-26)29(27(28)20-19-24-11-7-5-8-12-24)32(35)37-21-25-17-15-22(2)16-18-25/h5-18,27,34H,4,21H2,1-3H3/b31-28+
chemicalCompound:standardIn...	ZPKVCNGXWOULFC-CCFHIKDMSA-N
chemicalCompound:canonicalS...	CCO\C(=C/1\C(C#Cc2ccccc2)C(=C(N=C1C)c3ccccc3)C(=O)OCc4ccc(C)cc4)\O
chemicalCompound:molecularF...	C32 H29 N O4
chemicalCompound:moleculeId	141514
chemicalCompound:mwFreebase	491.577
chemicalCompound:alogp	6.629
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	68.12
chemicalCompound:rtb	9
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	8.761
chemicalCompound:acdLogP	6.979
chemicalCompound:acdLogD	6.934
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	491.577
chemicalCompound:acdMostBpk...	2.002
chemicalCompound:chemblId	CHEMBL86377
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:241514
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:337636, activity:337637, activity:337638, activity:337639, activity:337640, activity:337641