27

Source:http://linkedlifedata.com/resource/chembl/compound/27

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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/C16H11N3O3/c20-14-10-17-19(16(22)18-14)13-8-6-12(7-9-13)15(21)11-4-2-1-3-5-11/h1-10H,(H,18,20,22)
chemicalCompound:standardIn...	KXRCWAXGSZBUMP-UHFFFAOYSA-N
chemicalCompound:canonicalS...	O=C(c1ccccc1)c2ccc(cc2)N3N=CC(=O)NC3=O
chemicalCompound:molecularF...	C16 H11 N3 O3
chemicalCompound:moleculeId	27
chemicalCompound:mwFreebase	293.277
chemicalCompound:alogp	2.194
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	78.84
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	6.186
chemicalCompound:acdLogP	2.323
chemicalCompound:acdLogD	1.149
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	293.277
chemicalCompound:chemblId	CHEMBL268365
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:100027
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:207042, activity:207043