118

Source:http://linkedlifedata.com/resource/chembl/compound/118

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/C32H45N3O10/c1-19(2)12-20(3)33-32(38)45-18-23-17-34(30(36)21-13-24(39-4)28(43-8)25(14-21)40-5)10-11-35(23)31(37)22-15-26(41-6)29(44-9)27(16-22)42-7/h13-16,19-20,23H,10-12,17-18H2,1-9H3,(H,33,38)
chemicalCompound:standardIn...	VJAMGEUEUBUVCW-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1cc(cc(OC)c1OC)C(=O)N2CCN(C(COC(=O)NC(C)CC(C)C)C2)C(=O)c3cc(OC)c(OC)c(OC)c3
chemicalCompound:molecularF...	C32 H45 N3 O10
chemicalCompound:moleculeId	118
chemicalCompound:mwFreebase	631.714
chemicalCompound:alogp	3.849
chemicalCompound:hba	10
chemicalCompound:hbd	1
chemicalCompound:psa	134.33
chemicalCompound:rtb	14
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.453
chemicalCompound:acdLogP	2.741
chemicalCompound:acdLogD	2.741
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	631.714
chemicalCompound:chemblId	CHEMBL269132
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:100118
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:36313, activity:36314, activity:36315, activity:39586, activity:39587