181

Source:http://linkedlifedata.com/resource/chembl/compound/181

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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/C31H46N2O8/c1-9-23(10-2)31(34)41-20-24-19-32(17-21-13-25(35-3)29(39-7)26(14-21)36-4)11-12-33(24)18-22-15-27(37-5)30(40-8)28(16-22)38-6/h13-16,23-24H,9-12,17-20H2,1-8H3
chemicalCompound:standardIn...	YBFGTQXXZOBAGN-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCC(CC)C(=O)OCC1CN(Cc2cc(OC)c(OC)c(OC)c2)CCN1Cc3cc(OC)c(OC)c(OC)c3
chemicalCompound:molecularF...	C31 H46 N2 O8
chemicalCompound:moleculeId	181
chemicalCompound:mwFreebase	574.706
chemicalCompound:alogp	5.256
chemicalCompound:hba	10
chemicalCompound:hbd	0
chemicalCompound:psa	88.16
chemicalCompound:rtb	16
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1.314
chemicalCompound:acdLogD	1.297
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	574.706
chemicalCompound:acdMostBpk...	5.809
chemicalCompound:chemblId	CHEMBL414007
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:100181
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:59412