42220

Source:http://linkedlifedata.com/resource/chembl/compound/42220

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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/C23H23Cl2N3O2/c1-14(2)26-12-13-28-23(30)20(15(3)29)21(16-4-8-18(24)9-5-16)22(27-28)17-6-10-19(25)11-7-17/h4-11,14,26H,12-13H2,1-3H3
chemicalCompound:standardIn...	FKWKCSOALDWNOO-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(C)NCCN1N=C(C(=C(C(=O)C)C1=O)c2ccc(Cl)cc2)c3ccc(Cl)cc3
chemicalCompound:molecularF...	C23 H23 Cl2 N3 O2
chemicalCompound:moleculeId	42220
chemicalCompound:mwFreebase	444.354
chemicalCompound:alogp	4.48
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	61.77
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	4.188
chemicalCompound:acdLogD	2.069
chemicalCompound:molecularS...	molecularSpecies:BASE
chemicalCompound:fullMwt	444.354
chemicalCompound:acdMostBpk...	9.563
chemicalCompound:chemblId	CHEMBL31569
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:142220
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:421076, activity:421077, activity:421078, activity:421079, activity:421080, activity:421081