83

Source:http://linkedlifedata.com/resource/chembl/compound/83

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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/C16H10ClN3O3/c17-12-5-1-10(2-6-12)15(22)11-3-7-13(8-4-11)20-16(23)19-14(21)9-18-20/h1-9H,(H,19,21,23)
chemicalCompound:standardIn...	YFCMCLDTQXKALJ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Clc1ccc(cc1)C(=O)c2ccc(cc2)N3N=CC(=O)NC3=O
chemicalCompound:molecularF...	C16 H10 Cl N3 O3
chemicalCompound:moleculeId	83
chemicalCompound:mwFreebase	327.722
chemicalCompound:alogp	2.858
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	78.84
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	6.08
chemicalCompound:acdLogP	3.439
chemicalCompound:acdLogD	2.181
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	327.722
chemicalCompound:chemblId	CHEMBL6272
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:100083
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:217624