938171

Source:http://linkedlifedata.com/resource/chembl/compound/938171

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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/C30H28N2O5/c1-3-19-5-8-21(9-6-19)29(34)24-17-32(25-11-7-20(4-2)15-23(25)30(24)35)18-28(33)31-22-10-12-26-27(16-22)37-14-13-36-26/h5-12,15-17H,3-4,13-14,18H2,1-2H3,(H,31,33)
chemicalCompound:standardIn...	FIKXVKZOAPOTJK-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCc1ccc(cc1)C(=O)C2=CN(CC(=O)Nc3ccc4OCCOc4c3)c5ccc(CC)cc5C2=O
chemicalCompound:molecularF...	C30H28N2O5
chemicalCompound:moleculeId	938171
chemicalCompound:mwFreebase	496.554
chemicalCompound:alogp	5.238
chemicalCompound:hba	6
chemicalCompound:hbd	1
chemicalCompound:psa	84.94
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	12.346
chemicalCompound:acdLogP	4.327
chemicalCompound:acdLogD	4.327
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	496.554
chemicalCompound:acdMostBpk...	1
chemicalCompound:chemblId	CHEMBL1514287
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1038171
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:4834512, activity:5071907, activity:5849971, activity:6781288