34688

Source:http://linkedlifedata.com/resource/chembl/compound/34688

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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/C25H26ClN3O5/c1-3-4-9-21-28-23(26)20(14-22(30)34-2)29(21)15-16-10-12-17(13-11-16)27-24(31)18-7-5-6-8-19(18)25(32)33/h5-8,10-13H,3-4,9,14-15H2,1-2H3,(H,27,31)(H,32,33)
chemicalCompound:standardIn...	VPGBXMVPAQLPJI-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCCCc1nc(Cl)c(CC(=O)OC)n1Cc2ccc(NC(=O)c3ccccc3C(=O)O)cc2
chemicalCompound:molecularF...	C25 H26 Cl N3 O5
chemicalCompound:moleculeId	34688
chemicalCompound:mwFreebase	483.944
chemicalCompound:alogp	4.816
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	110.52
chemicalCompound:rtb	11
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	3.445
chemicalCompound:acdLogP	2.747
chemicalCompound:acdLogD	-0.354
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	483.944
chemicalCompound:acdMostBpk...	4.103
chemicalCompound:chemblId	CHEMBL262958
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:134688
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:145512, activity:586487, activity:643347, activity:912794, activity:952686, activity:1050869, activity:1050870, activity:1050871