716009

Source:http://linkedlifedata.com/resource/chembl/compound/716009

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/C21H19ClN4O4/c1-29-19-10-17-13(9-14(19)20(23)27)18(6-7-24-17)30-12-4-5-16(15(22)8-12)26-21(28)25-11-2-3-11/h4-11H,2-3H2,1H3,(H2,23,27)(H2,25,26,28)
chemicalCompound:standardIn...	WOSKHXYHFSIKNG-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1cc2nccc(Oc3ccc(NC(=O)NC4CC4)c(Cl)c3)c2cc1C(=O)N
chemicalCompound:molecularF...	C21H19ClN4O4
chemicalCompound:moleculeId	716009
chemicalCompound:mwFreebase	426.853
chemicalCompound:alogp	2.832
chemicalCompound:hba	5
chemicalCompound:hbd	3
chemicalCompound:psa	115.57
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.087
chemicalCompound:acdLogP	2.146
chemicalCompound:acdLogD	2.145
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	426.853
chemicalCompound:acdMostBpk...	4.687
chemicalCompound:chemblId	CHEMBL1289601
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:816009
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:3595759