34131

Source:http://linkedlifedata.com/resource/chembl/compound/34131

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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/C29H28ClN3O5/c1-3-4-9-25-32-27(30)24(16-26(34)38-2)33(25)17-18-10-12-21(13-11-18)31-28(35)22-14-19-7-5-6-8-20(19)15-23(22)29(36)37/h5-8,10-15H,3-4,9,16-17H2,1-2H3,(H,31,35)(H,36,37)
chemicalCompound:standardIn...	KCQHQBCGBJQLFN-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCCCc1nc(Cl)c(CC(=O)OC)n1Cc2ccc(NC(=O)c3cc4ccccc4cc3C(=O)O)cc2
chemicalCompound:molecularF...	C29 H28 Cl N3 O5
chemicalCompound:moleculeId	34131
chemicalCompound:mwFreebase	534.003
chemicalCompound:alogp	5.724
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	110.52
chemicalCompound:rtb	11
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	3.631
chemicalCompound:acdLogP	3.931
chemicalCompound:acdLogD	0.842
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	534.003
chemicalCompound:acdMostBpk...	4.106
chemicalCompound:chemblId	CHEMBL281761
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:134131
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:650438