850784

Source:http://linkedlifedata.com/resource/chembl/compound/850784

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/C24H21N3O4/c1-15(22-9-6-12-31-22)26-27-24(28)19-14-21(25-20-8-5-4-7-17(19)20)18-11-10-16(29-2)13-23(18)30-3/h4-14H,1-3H3,(H,27,28)
chemicalCompound:standardIn...	OZFXSCQWJJTUKH-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1ccc(c(OC)c1)c2cc(C(=O)NN=C(C)c3occc3)c4ccccc4n2
chemicalCompound:molecularF...	C24H21N3O4
chemicalCompound:moleculeId	850784
chemicalCompound:mwFreebase	415.441
chemicalCompound:alogp	4.159
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	85.95
chemicalCompound:rtb	6
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	10.851
chemicalCompound:acdLogP	4.124
chemicalCompound:acdLogD	4.123
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	415.441
chemicalCompound:acdMostBpk...	3.21
chemicalCompound:chemblId	CHEMBL1426900
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:950784
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:3621424, activity:3769347, activity:3781793, activity:4291243, activity:4356955, activity:4885698, activity:4987014, activity:5010896, activity:5022000, activity:5916233, activity:6557716, activity:6750077, activity:7185984, activity:7404029, activity:7495703