422454

Source:http://linkedlifedata.com/resource/chembl/compound/422454

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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/C21H20Cl4N2O3/c1-21(2,3)27(20(29)17-14(23)9-11(22)10-15(17)24)26-19(28)13-6-7-16-12(18(13)25)5-4-8-30-16/h6-7,9-10H,4-5,8H2,1-3H3,(H,26,28)
chemicalCompound:standardIn...	SXZZEXPBUCQFHO-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(C)(C)N(NC(=O)c1ccc2OCCCc2c1Cl)C(=O)c3c(Cl)cc(Cl)cc3Cl
chemicalCompound:molecularF...	C21 H20 Cl4 N2 O3
chemicalCompound:moleculeId	422454
chemicalCompound:mwFreebase	490.207
chemicalCompound:alogp	6.18
chemicalCompound:hba	3
chemicalCompound:hbd	1
chemicalCompound:psa	58.64
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	9.648
chemicalCompound:acdLogP	4.596
chemicalCompound:acdLogD	4.594
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	490.207
chemicalCompound:chemblId	CHEMBL252050
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:522454
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:2069880