80

Source:http://linkedlifedata.com/resource/chembl/compound/80

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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/C11H8ClN3O3/c1-6(16)8-3-2-7(4-9(8)12)15-11(18)14-10(17)5-13-15/h2-5H,1H3,(H,14,17,18)
chemicalCompound:standardIn...	ZXFQGGGCNLQIQP-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(=O)c1ccc(cc1Cl)N2N=CC(=O)NC2=O
chemicalCompound:molecularF...	C11 H8 Cl N3 O3
chemicalCompound:moleculeId	80
chemicalCompound:mwFreebase	265.652
chemicalCompound:alogp	1.194
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	78.84
chemicalCompound:rtb	2
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	6.105
chemicalCompound:acdLogP	1.404
chemicalCompound:acdLogD	0.166
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	265.652
chemicalCompound:chemblId	CHEMBL6239
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:100080
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:221208