291497

Source:http://linkedlifedata.com/resource/chembl/compound/291497

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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/C23H24N4O2/c24-23(25)19-6-7-20-18(14-19)10-13-27(20)15-21(28)26-11-8-17(9-12-26)22(29)16-4-2-1-3-5-16/h1-7,10,13-14,17H,8-9,11-12,15H2,(H3,24,25)
chemicalCompound:standardIn...	MPJKWNUPXPRDHL-UHFFFAOYSA-N
chemicalCompound:canonicalS...	NC(=N)c1ccc2c(ccn2CC(=O)N3CCC(CC3)C(=O)c4ccccc4)c1
chemicalCompound:molecularF...	C23 H24 N4 O2
chemicalCompound:moleculeId	291497
chemicalCompound:mwFreebase	388.462
chemicalCompound:alogp	2.528
chemicalCompound:hba	3
chemicalCompound:hbd	2
chemicalCompound:psa	92.18
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.403
chemicalCompound:acdLogD	0.405
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	388.462
chemicalCompound:acdMostBpk...	11.713
chemicalCompound:chemblId	CHEMBL177038
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:391497
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:1186723, activity:1186724, activity:1186725