78

Source:http://linkedlifedata.com/resource/chembl/compound/78

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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/C18H14ClN3O3/c1-10-7-14(22-18(25)21-15(23)9-20-22)8-11(2)16(10)17(24)12-3-5-13(19)6-4-12/h3-9H,1-2H3,(H,21,23,25)
chemicalCompound:standardIn...	VPEXBAVKVHINPE-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cc1cc(cc(C)c1C(=O)c2ccc(Cl)cc2)N3N=CC(=O)NC3=O
chemicalCompound:molecularF...	C18 H14 Cl N3 O3
chemicalCompound:moleculeId	78
chemicalCompound:mwFreebase	355.775
chemicalCompound:alogp	3.83
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	78.84
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	6.45
chemicalCompound:acdLogP	4.515
chemicalCompound:acdLogD	3.556
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	355.775
chemicalCompound:chemblId	CHEMBL6238
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:100078
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:208196, activity:914699, activity:946971, activity:1231550