432699

Source:http://linkedlifedata.com/resource/chembl/compound/432699

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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/C30H24N6O/c1-20-27(22-12-6-3-7-13-22)33-36-25(18-19-31-29(20)36)26-21(2)35(24-16-10-5-11-17-24)34-28(26)30(37)32-23-14-8-4-9-15-23/h3-19H,1-2H3,(H,32,37)
chemicalCompound:standardIn...	CTMMGNVBJDDAIQ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1c(nn2c(ccnc12)c3c(C)n(nc3C(=O)Nc4ccccc4)c5ccccc5)c6ccccc6
chemicalCompound:molecularF...	C30 H24 N6 O
chemicalCompound:moleculeId	432699
chemicalCompound:mwFreebase	484.551
chemicalCompound:alogp	6.068
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	77.11
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	11.077
chemicalCompound:acdLogP	7.113
chemicalCompound:acdLogD	7.113
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	484.551
chemicalCompound:acdMostBpk...	0.183
chemicalCompound:chemblId	CHEMBL258580
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:532699
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:2144938, activity:2144952, activity:2144967, activity:2144982