34750

Source:http://linkedlifedata.com/resource/chembl/compound/34750

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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/C25H28ClN3O4/c1-4-5-9-21-28-23(26)20(15-33-3)29(21)14-17-10-12-18(13-11-17)24(30)27-19-8-6-7-16(2)22(19)25(31)32/h6-8,10-13H,4-5,9,14-15H2,1-3H3,(H,27,30)(H,31,32)
chemicalCompound:standardIn...	SRCFDOKQABYCML-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCCCc1nc(Cl)c(COC)n1Cc2ccc(cc2)C(=O)Nc3cccc(C)c3C(=O)O
chemicalCompound:molecularF...	C25 H28 Cl N3 O4
chemicalCompound:moleculeId	34750
chemicalCompound:mwFreebase	469.961
chemicalCompound:alogp	5.002
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	93.45
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	1.493
chemicalCompound:acdLogP	4.767
chemicalCompound:acdLogD	1.621
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	469.961
chemicalCompound:acdMostBpk...	4.346
chemicalCompound:chemblId	CHEMBL28391
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:134750
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:644450