34974

Source:http://linkedlifedata.com/resource/chembl/compound/34974

Download in:

Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C24H25Cl2N3O3/c1-3-4-5-21-28-23(26)20(14-22(30)32-2)29(21)15-16-6-12-19(13-7-16)27-24(31)17-8-10-18(25)11-9-17/h6-13H,3-5,14-15H2,1-2H3,(H,27,31)
chemicalCompound:standardIn...	UNPBWYGDMWGQRT-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCCCc1nc(Cl)c(CC(=O)OC)n1Cc2ccc(NC(=O)c3ccc(Cl)cc3)cc2
chemicalCompound:molecularF...	C24 H25 Cl2 N3 O3
chemicalCompound:moleculeId	34974
chemicalCompound:mwFreebase	474.38
chemicalCompound:alogp	5.851
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	73.22
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.953
chemicalCompound:acdLogP	4.552
chemicalCompound:acdLogD	4.551
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	474.38
chemicalCompound:acdMostBpk...	4.083
chemicalCompound:chemblId	CHEMBL280768
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:134974
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:664992, activity:664993