754613

Source:http://linkedlifedata.com/resource/chembl/compound/754613

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:parent	chemicalCompound:74690
chemicalCompound:standardIn...	InChI=1S/C12H18Cl2N2O.ClH/c1-12(2,3)16-6-10(17)7-4-8(13)11(15)9(14)5-7;/h4-5,10,16-17H,6,15H2,1-3H3;1H
chemicalCompound:standardIn...	OPXKTCUYRHXSBK-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Cl.CC(C)(C)NCC(O)c1cc(Cl)c(N)c(Cl)c1
chemicalCompound:molecularF...	C12H19Cl3N2O
chemicalCompound:moleculeId	754613
chemicalCompound:mwFreebase	277.19
chemicalCompound:alogp	2.37
chemicalCompound:hba	3
chemicalCompound:hbd	3
chemicalCompound:psa	58.28
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.289
chemicalCompound:acdLogP	2.634
chemicalCompound:acdLogD	0.582
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	313.651
chemicalCompound:acdMostBpk...	9.515
chemicalCompound:chemblId	CHEMBL1330729
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:854613
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:chebiParen...	https://linkedlifedata.com/resource/chebi/id/CHEBI:31410
chemicalCompound:activity	activity:3644946, activity:3716853, activity:4235895, activity:4852119, activity:4949307, activity:5018186, activity:5025149, activity:5410121, activity:5594734, activity:6460873, activity:6604956, activity:7097369, activity:7461210, activity:9967587