513799

Source:http://linkedlifedata.com/resource/chembl/compound/513799

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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/C24H19FN6O/c1-14-21(24(32)29-18-9-10-19-16(12-18)13-27-31-19)22(15-5-7-17(25)8-6-15)30-23(28-14)20-4-2-3-11-26-20/h2-13,22H,1H3,(H,27,31)(H,28,30)(H,29,32)
chemicalCompound:standardIn...	QORFEDROBOQXGA-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC1=C(C(N=C(N1)c2ccccn2)c3ccc(F)cc3)C(=O)Nc4ccc5[nH]ncc5c4
chemicalCompound:molecularF...	C24H19FN6O
chemicalCompound:moleculeId	513799
chemicalCompound:mwFreebase	426.446
chemicalCompound:alogp	3.05
chemicalCompound:hba	5
chemicalCompound:hbd	3
chemicalCompound:psa	95.06
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	12.608
chemicalCompound:acdLogP	2.951
chemicalCompound:acdLogD	2.923
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	426.446
chemicalCompound:acdMostBpk...	6.217
chemicalCompound:chemblId	CHEMBL485592
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:613799
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:2476003