157

Source:http://linkedlifedata.com/resource/chembl/compound/157

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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/C36H53N3O10/c1-9-11-13-15-37(16-14-12-10-2)36(42)49-24-27-23-38(34(40)25-19-28(43-3)32(47-7)29(20-25)44-4)17-18-39(27)35(41)26-21-30(45-5)33(48-8)31(22-26)46-6/h19-22,27H,9-18,23-24H2,1-8H3
chemicalCompound:standardIn...	AKUMVPRSWUGFHR-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCCCCN(CCCCC)C(=O)OCC1CN(CCN1C(=O)c2cc(OC)c(OC)c(OC)c2)C(=O)c3cc(OC)c(OC)c(OC)c3
chemicalCompound:molecularF...	C36 H53 N3 O10
chemicalCompound:moleculeId	157
chemicalCompound:mwFreebase	687.82
chemicalCompound:alogp	5.666
chemicalCompound:hba	10
chemicalCompound:hbd	0
chemicalCompound:psa	125.54
chemicalCompound:rtb	19
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	5.041
chemicalCompound:acdLogD	5.041
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	687.82
chemicalCompound:chemblId	CHEMBL6263
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:100157
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:45497