320291

Source:http://linkedlifedata.com/resource/chembl/compound/320291

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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/C20H18Cl3N3O/c1-3-25(4-2)20(27)17-12-26(18-10-9-15(22)11-16(18)23)19(24-17)13-5-7-14(21)8-6-13/h5-12H,3-4H2,1-2H3
chemicalCompound:standardIn...	WWDOVXBGLHLBKB-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCN(CC)C(=O)c1cn(c2ccc(Cl)cc2Cl)c(n1)c3ccc(Cl)cc3
chemicalCompound:molecularF...	C20 H18 Cl3 N3 O
chemicalCompound:moleculeId	320291
chemicalCompound:mwFreebase	422.735
chemicalCompound:alogp	5.958
chemicalCompound:hba	2
chemicalCompound:hbd	0
chemicalCompound:psa	38.13
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	5.769
chemicalCompound:acdLogD	5.769
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	422.735
chemicalCompound:acdMostBpk...	0.397
chemicalCompound:chemblId	CHEMBL190596
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:420291
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:1501245, activity:1501246