140

Source:http://linkedlifedata.com/resource/chembl/compound/140

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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/C43H66N2O10/c1-8-9-10-11-12-13-14-15-16-17-18-19-20-21-22-23-39(46)55-31-34-30-44(42(47)32-26-35(49-2)40(53-6)36(27-32)50-3)24-25-45(34)43(48)33-28-37(51-4)41(54-7)38(29-33)52-5/h26-29,34H,8-25,30-31H2,1-7H3
chemicalCompound:standardIn...	RIPBNIBRYTXDLA-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCCCCCCCCCCCCCCCCC(=O)OCC1CN(CCN1C(=O)c2cc(OC)c(OC)c(OC)c2)C(=O)c3cc(OC)c(OC)c(OC)c3
chemicalCompound:molecularF...	C43 H66 N2 O10
chemicalCompound:moleculeId	140
chemicalCompound:mwFreebase	770.992
chemicalCompound:alogp	9.405
chemicalCompound:hba	10
chemicalCompound:hbd	0
chemicalCompound:psa	122.3
chemicalCompound:rtb	27
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	N
chemicalCompound:acdLogP	8.852
chemicalCompound:acdLogD	8.852
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	770.992
chemicalCompound:chemblId	CHEMBL227457
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:100140
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:40750