569924

Source:http://linkedlifedata.com/resource/chembl/compound/569924

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/C20H21Cl2N3O4/c1-12-20(28)25(7-6-23-19(27)11-26)17-9-14(3-5-18(17)29-12)24-10-13-2-4-15(21)16(22)8-13/h2-5,8-9,12,24,26H,6-7,10-11H2,1H3,(H,23,27)
chemicalCompound:standardIn...	KVQKFFCAVDEFET-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CC1Oc2ccc(NCc3ccc(Cl)c(Cl)c3)cc2N(CCNC(=O)CO)C1=O
chemicalCompound:molecularF...	C20H21Cl2N3O4
chemicalCompound:moleculeId	569924
chemicalCompound:mwFreebase	438.304
chemicalCompound:alogp	2.551
chemicalCompound:hba	5
chemicalCompound:hbd	3
chemicalCompound:psa	90.9
chemicalCompound:rtb	7
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.301
chemicalCompound:acdLogP	2.102
chemicalCompound:acdLogD	2.102
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	438.304
chemicalCompound:acdMostBpk...	3.413
chemicalCompound:chemblId	CHEMBL574511
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:669924
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:2913884, activity:2913886, activity:2913929, activity:2913930, activity:2913931, activity:2913932, activity:2913933, activity:2913934, activity:2913957