166

Source:http://linkedlifedata.com/resource/chembl/compound/166

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/C31H43N3O10/c1-19(2)9-10-32-31(37)44-18-22-17-33(29(35)20-13-23(38-3)27(42-7)24(14-20)39-4)11-12-34(22)30(36)21-15-25(40-5)28(43-8)26(16-21)41-6/h13-16,19,22H,9-12,17-18H2,1-8H3,(H,32,37)
chemicalCompound:standardIn...	DFMYYPWUKJDYRZ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1cc(cc(OC)c1OC)C(=O)N2CCN(C(COC(=O)NCCC(C)C)C2)C(=O)c3cc(OC)c(OC)c(OC)c3
chemicalCompound:molecularF...	C31 H43 N3 O10
chemicalCompound:moleculeId	166
chemicalCompound:mwFreebase	617.687
chemicalCompound:alogp	3.471
chemicalCompound:hba	10
chemicalCompound:hbd	1
chemicalCompound:psa	134.33
chemicalCompound:rtb	14
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.808
chemicalCompound:acdLogP	2.387
chemicalCompound:acdLogD	2.387
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	617.687
chemicalCompound:chemblId	CHEMBL6202
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:100166
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:32388