148857

Source:http://linkedlifedata.com/resource/chembl/compound/148857

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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/C24H23Cl2N3/c1-24(2,3)17-6-4-16(5-7-17)20-13-28-14-21(20)23(29-11-10-27-15-29)19-9-8-18(25)12-22(19)26/h4-15,23,28H,1-3H3
chemicalCompound:standardIn...	DULCCGQQCJNKEM-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC(C)(C)c1ccc(cc1)c2c[nH]cc2C(c3ccc(Cl)cc3Cl)n4ccnc4
chemicalCompound:molecularF...	C24 H23 Cl2 N3
chemicalCompound:moleculeId	148857
chemicalCompound:mwFreebase	424.366
chemicalCompound:alogp	6.46
chemicalCompound:hba	1
chemicalCompound:hbd	1
chemicalCompound:psa	33.61
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	8.24
chemicalCompound:acdLogD	8.206
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	424.366
chemicalCompound:acdMostBpk...	6.267
chemicalCompound:chemblId	CHEMBL329373
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:248857
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:74834, activity:74835, activity:74836, activity:74837, activity:74838, activity:74839, activity:74840, activity:74841, activity:74842, activity:74843, activity:74844, activity:74845, activity:74846, activity:74847, activity:74848, activity:74849, activity:74850, activity:74851, activity:74852