135

Source:http://linkedlifedata.com/resource/chembl/compound/135

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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/C33H46N2O10/c1-8-9-10-11-12-13-29(36)45-21-24-20-34(32(37)22-16-25(39-2)30(43-6)26(17-22)40-3)14-15-35(24)33(38)23-18-27(41-4)31(44-7)28(19-23)42-5/h16-19,24H,8-15,20-21H2,1-7H3
chemicalCompound:standardIn...	HRAVCYOABUOCGK-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCCCCCCC(=O)OCC1CN(CCN1C(=O)c2cc(OC)c(OC)c(OC)c2)C(=O)c3cc(OC)c(OC)c(OC)c3
chemicalCompound:molecularF...	C33 H46 N2 O10
chemicalCompound:moleculeId	135
chemicalCompound:mwFreebase	630.726
chemicalCompound:alogp	4.843
chemicalCompound:hba	10
chemicalCompound:hbd	0
chemicalCompound:psa	122.3
chemicalCompound:rtb	17
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	3.757
chemicalCompound:acdLogD	3.757
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	630.726
chemicalCompound:chemblId	CHEMBL6211
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:100135
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:59409