139

Source:http://linkedlifedata.com/resource/chembl/compound/139

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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/C34H49N3O10/c1-8-9-10-11-12-13-14-35-34(40)47-22-25-21-36(32(38)23-17-26(41-2)30(45-6)27(18-23)42-3)15-16-37(25)33(39)24-19-28(43-4)31(46-7)29(20-24)44-5/h17-20,25H,8-16,21-22H2,1-7H3,(H,35,40)
chemicalCompound:standardIn...	BSDZFTJWNPWDIZ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCCCCCCCNC(=O)OCC1CN(CCN1C(=O)c2cc(OC)c(OC)c(OC)c2)C(=O)c3cc(OC)c(OC)c(OC)c3
chemicalCompound:molecularF...	C34 H49 N3 O10
chemicalCompound:moleculeId	139
chemicalCompound:mwFreebase	659.767
chemicalCompound:alogp	5.044
chemicalCompound:hba	10
chemicalCompound:hbd	1
chemicalCompound:psa	134.33
chemicalCompound:rtb	18
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	12.832
chemicalCompound:acdLogP	4.072
chemicalCompound:acdLogD	4.072
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	659.767
chemicalCompound:chemblId	CHEMBL24879
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:100139
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:71145