24772

Source:http://linkedlifedata.com/resource/chembl/compound/24772

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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/C18H17N5O/c1-12-5-6-15(21-13(2)24)10-17(12)23-18-20-9-7-16(22-18)14-4-3-8-19-11-14/h3-11H,1-2H3,(H,21,24)(H,20,22,23)
chemicalCompound:standardIn...	PMGVYOWQUQXHSP-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(=O)Nc1ccc(C)c(Nc2nccc(n2)c3cccnc3)c1
chemicalCompound:molecularF...	C18H17N5O
chemicalCompound:moleculeId	24772
chemicalCompound:mwFreebase	319.36
chemicalCompound:alogp	1.888
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	79.8
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.182
chemicalCompound:acdLogD	2.182
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	319.36
chemicalCompound:acdMostBpk...	2.697
chemicalCompound:chemblId	CHEMBL423288
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:124772
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:897193, activity:897194, activity:897195, activity:897196, activity:897197, activity:897198, activity:917722, activity:917723, activity:917724, activity:917725, activity:917726, activity:917727, activity:917728, activity:2503246