186

Source:http://linkedlifedata.com/resource/chembl/compound/186

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:standardIn...	InChI=1S/C30H41N3O10/c1-8-9-10-31-30(36)43-18-21-17-32(28(34)19-13-22(37-2)26(41-6)23(14-19)38-3)11-12-33(21)29(35)20-15-24(39-4)27(42-7)25(16-20)40-5/h13-16,21H,8-12,17-18H2,1-7H3,(H,31,36)
chemicalCompound:standardIn...	KFLCKESTWZJUOI-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCCCNC(=O)OCC1CN(CCN1C(=O)c2cc(OC)c(OC)c(OC)c2)C(=O)c3cc(OC)c(OC)c(OC)c3
chemicalCompound:molecularF...	C30 H41 N3 O10
chemicalCompound:moleculeId	186
chemicalCompound:mwFreebase	603.661
chemicalCompound:alogp	3.219
chemicalCompound:hba	10
chemicalCompound:hbd	1
chemicalCompound:psa	134.33
chemicalCompound:rtb	14
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.871
chemicalCompound:acdLogP	2.034
chemicalCompound:acdLogD	2.034
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	603.661
chemicalCompound:chemblId	CHEMBL269340
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:100186
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:55745, activity:55746, activity:1839866, activity:1839873, activity:1839883