365762

Source:http://linkedlifedata.com/resource/chembl/compound/365762

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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/C21H18ClN3O4/c22-13-4-1-11(2-5-13)9-16-19(26)17(20(27)28)14-6-3-12-7-8-25(21(23)29)10-15(12)18(14)24-16/h1-6,26H,7-10H2,(H2,23,29)(H,27,28)
chemicalCompound:standardIn...	ZSTPNORDWZPIGX-UHFFFAOYSA-N
chemicalCompound:canonicalS...	NC(=O)N1CCc2ccc3c(C(=O)O)c(O)c(Cc4ccc(Cl)cc4)nc3c2C1
chemicalCompound:molecularF...	C21 H18 Cl N3 O4
chemicalCompound:moleculeId	365762
chemicalCompound:mwFreebase	411.838
chemicalCompound:alogp	3.248
chemicalCompound:hba	5
chemicalCompound:hbd	3
chemicalCompound:psa	116.74
chemicalCompound:rtb	3
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	0.833
chemicalCompound:acdLogP	5.001
chemicalCompound:acdLogD	1.835
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	411.838
chemicalCompound:acdMostBpk...	4.719
chemicalCompound:chemblId	CHEMBL219000
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:465762
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:1801862