434521

Source:http://linkedlifedata.com/resource/chembl/compound/434521

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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/C27H29N7O2/c1-28-26(36)23-18-34(17-19-6-4-3-5-7-19)25-22(24(23)35)16-29-27(31-25)30-20-8-10-21(11-9-20)33-14-12-32(2)13-15-33/h3-11,16,18H,12-15,17H2,1-2H3,(H,28,36)(H,29,30,31)
chemicalCompound:standardIn...	GRYAXXJVCVQDLT-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CNC(=O)C1=CN(Cc2ccccc2)c3nc(Nc4ccc(cc4)N5CCN(C)CC5)ncc3C1=O
chemicalCompound:molecularF...	C27 H29 N7 O2
chemicalCompound:moleculeId	434521
chemicalCompound:mwFreebase	483.565
chemicalCompound:alogp	2.632
chemicalCompound:hba	8
chemicalCompound:hbd	2
chemicalCompound:psa	93.69
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	11.438
chemicalCompound:acdLogP	0.391
chemicalCompound:acdLogD	-0.215
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	483.565
chemicalCompound:acdMostBpk...	7.868
chemicalCompound:chemblId	CHEMBL257664
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:534521
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:2122137, activity:2122167