17588

Source:http://linkedlifedata.com/resource/chembl/compound/17588

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/C24H17ClN2O4/c25-19-9-5-4-6-15(19)10-13-21(28)26-17-11-12-18-20(14-17)27(31)24(30)22(18)23(29)16-7-2-1-3-8-16/h1-14,30-31H,(H,26,28)/b13-10+
chemicalCompound:standardIn...	IOBXTEVGZJYPFM-JLHYYAGUSA-N
chemicalCompound:canonicalS...	Oc1c(C(=O)c2ccccc2)c3ccc(NC(=O)\C=C\c4ccccc4Cl)cc3n1O
chemicalCompound:molecularF...	C24 H17 Cl N2 O4
chemicalCompound:moleculeId	17588
chemicalCompound:mwFreebase	432.856
chemicalCompound:alogp	3.342
chemicalCompound:hba	4
chemicalCompound:hbd	3
chemicalCompound:psa	91.56
chemicalCompound:rtb	5
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	8.403
chemicalCompound:acdLogP	4.939
chemicalCompound:acdLogD	4.867
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	432.856
chemicalCompound:acdMostBpk...	1.194
chemicalCompound:chemblId	CHEMBL277536
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:117588
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:200403, activity:200404, activity:200405