141749

Source:http://linkedlifedata.com/resource/chembl/compound/141749

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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/C31H26N2O6/c1-3-38-30(34)27-21(2)32-29(24-12-8-5-9-13-24)28(26(27)19-16-22-10-6-4-7-11-22)31(35)39-20-23-14-17-25(18-15-23)33(36)37/h4-15,17-18,26,34H,3,20H2,1-2H3/b30-27+
chemicalCompound:standardIn...	MOUCZLGFFQYULK-KDJFERLWSA-N
chemicalCompound:canonicalS...	CCO\C(=C/1\C(C#Cc2ccccc2)C(=C(N=C1C)c3ccccc3)C(=O)OCc4ccc(cc4)[N+](=O)[O-])\O
chemicalCompound:molecularF...	C31 H26 N2 O6
chemicalCompound:moleculeId	141749
chemicalCompound:mwFreebase	522.548
chemicalCompound:alogp	6.037
chemicalCompound:hba	7
chemicalCompound:hbd	1
chemicalCompound:psa	113.94
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	8.754
chemicalCompound:acdLogP	6.227
chemicalCompound:acdLogD	6.182
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	522.548
chemicalCompound:acdMostBpk...	1.896
chemicalCompound:chemblId	CHEMBL265096
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:241749
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:135125, activity:135126, activity:135127, activity:209131, activity:209132, activity:209133, activity:338982, activity:338983, activity:338984, activity:338985, activity:338986, activity:338987