927225

Source:http://linkedlifedata.com/resource/chembl/compound/927225

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/C14H15ClN2O3/c15-10-4-6-13(7-5-10)20-9-14(19)17-16-11-2-1-3-12(18)8-11/h4-7H,1-3,8-9H2,(H,17,19)
chemicalCompound:standardIn...	YWYPMOMIUXIMAF-UHFFFAOYSA-N
chemicalCompound:canonicalS...	Clc1ccc(OCC(=O)NN=C2CCCC(=O)C2)cc1
chemicalCompound:molecularF...	C14H15ClN2O3
chemicalCompound:moleculeId	927225
chemicalCompound:mwFreebase	294.733
chemicalCompound:alogp	1.906
chemicalCompound:hba	4
chemicalCompound:hbd	1
chemicalCompound:psa	67.76
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	11.747
chemicalCompound:acdLogP	1
chemicalCompound:acdLogD	1
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	294.733
chemicalCompound:acdMostBpk...	0.419
chemicalCompound:chemblId	CHEMBL1503341
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1027225
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:3633048, activity:3726993, activity:4664686, activity:5767011, activity:6682003, activity:6807900, activity:7286186, activity:7467613