951123

Source:http://linkedlifedata.com/resource/chembl/compound/951123

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/C21H27N3O3/c1-26-18-11-14-9-10-24-17(16(14)12-19(18)27-2)13-20(23-21(24)25)22-15-7-5-3-4-6-8-15/h11-13,15H,3-10H2,1-2H3,(H,22,23,25)
chemicalCompound:standardIn...	YBDJCXQFZNVCGK-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1cc2CCN3C(=O)N=C(NC4CCCCCC4)C=C3c2cc1OC
chemicalCompound:molecularF...	C21H27N3O3
chemicalCompound:moleculeId	951123
chemicalCompound:mwFreebase	369.457
chemicalCompound:alogp	3.559
chemicalCompound:hba	5
chemicalCompound:hbd	1
chemicalCompound:psa	63.16
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	3.223
chemicalCompound:acdLogD	3.223
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	369.457
chemicalCompound:acdMostBpk...	3.9
chemicalCompound:chemblId	CHEMBL1527239
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:1051123
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:3685089, activity:3715248, activity:3739005, activity:3803023, activity:3924718, activity:4118257, activity:4211833, activity:4525324, activity:4534036, activity:4536908, activity:4731502, activity:4789758, activity:4815823, activity:4829260, activity:4998894, activity:5433650, activity:5583451, activity:6466196, activity:6567413, activity:6872592, activity:7052779, activity:7169887, activity:7377361, activity:7483293