278455

Source:http://linkedlifedata.com/resource/chembl/compound/278455

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/C21H14Cl3N3O4/c22-16-9-25-10-17(23)15(16)11-31-13-5-3-12(4-6-13)8-18(21(29)30)27-20(28)14-2-1-7-26-19(14)24/h1-10H,11H2,(H,27,28)(H,29,30)/b18-8-
chemicalCompound:standardIn...	PMBIASLVECKUIT-LSCVHKIXSA-N
chemicalCompound:canonicalS...	OC(=O)\C(=C\c1ccc(OCc2c(Cl)cncc2Cl)cc1)\NC(=O)c3cccnc3Cl
chemicalCompound:molecularF...	C21 H14 Cl3 N3 O4
chemicalCompound:moleculeId	278455
chemicalCompound:mwFreebase	478.713
chemicalCompound:alogp	3.884
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	101.41
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	2.828
chemicalCompound:acdLogP	2
chemicalCompound:acdLogD	-1.535
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	478.713
chemicalCompound:acdMostBpk...	0.233
chemicalCompound:chemblId	CHEMBL167961
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:378455
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:1000695, activity:1000696, activity:1000697