1141474

Source:http://linkedlifedata.com/resource/chembl/compound/1141474

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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/C27H20N6O/c1-18-5-2-9-25(30-18)27-23(20-10-11-24-21(14-20)7-4-12-29-24)16-33(32-27)17-26(34)31-22-8-3-6-19(13-22)15-28/h2-14,16H,17H2,1H3,(H,31,34)
chemicalCompound:standardIn...	CSVAYJICHSGDHD-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1cccc(n1)c2nn(CC(=O)Nc3cccc(c3)C#N)cc2c4ccc5ncccc5c4
chemicalCompound:molecularF...	C27H20N6O
chemicalCompound:moleculeId	1141474
chemicalCompound:mwFreebase	444.487
chemicalCompound:alogp	4.207
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	96.49
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.637
chemicalCompound:acdLogP	4.918
chemicalCompound:acdLogD	4.917
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	444.487
chemicalCompound:acdMostBpk...	4.339
chemicalCompound:chemblId	CHEMBL1766441
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1241474
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:6168234, activity:6168877, activity:6168896, activity:6168907, activity:6168925