34226

Source:http://linkedlifedata.com/resource/chembl/compound/34226

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/C21H24ClN3O5/c1-3-4-5-17-24-21(22)16(12-20(29)30-2)25(17)13-14-6-8-15(9-7-14)23-18(26)10-11-19(27)28/h6-11H,3-5,12-13H2,1-2H3,(H,23,26)(H,27,28)/b11-10-
chemicalCompound:standardIn...	MKNDXTUHRMGFQK-KHPPLWFESA-N
chemicalCompound:canonicalS...	CCCCc1nc(Cl)c(CC(=O)OC)n1Cc2ccc(NC(=O)\C=C/C(=O)O)cc2
chemicalCompound:molecularF...	C21 H24 Cl N3 O5
chemicalCompound:moleculeId	34226
chemicalCompound:mwFreebase	433.885
chemicalCompound:alogp	3.765
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	110.52
chemicalCompound:rtb	11
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	2.763
chemicalCompound:acdLogP	1.163
chemicalCompound:acdLogD	-2.57
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	433.885
chemicalCompound:acdMostBpk...	4.125
chemicalCompound:chemblId	CHEMBL279747
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:134226
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:664989