1250185

Source:http://linkedlifedata.com/resource/chembl/compound/1250185

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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/C21H17N3O2/c1-23-14-18(17-6-2-3-7-19(17)23)20(25)21(26)22-15-8-10-16(11-9-15)24-12-4-5-13-24/h2-14H,1H3,(H,22,26)
chemicalCompound:standardIn...	VBFSJFQXRQSTGN-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cn1cc(C(=O)C(=O)Nc2ccc(cc2)n3cccc3)c4ccccc14
chemicalCompound:molecularF...	C21H17N3O2
chemicalCompound:moleculeId	1250185
chemicalCompound:mwFreebase	343.379
chemicalCompound:alogp	3.876
chemicalCompound:hba	2
chemicalCompound:hbd	1
chemicalCompound:psa	56.03
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.957
chemicalCompound:acdLogP	3.724
chemicalCompound:acdLogD	3.723
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	343.379
chemicalCompound:chemblId	CHEMBL1910590
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1350185
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:7854461, activity:7855407, activity:7855463, activity:7855509