162

Source:http://linkedlifedata.com/resource/chembl/compound/162

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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/C35H43N3O13/c1-42-24-12-20(13-25(43-2)30(24)48-7)33(39)37-10-11-38(34(40)21-14-26(44-3)31(49-8)27(15-21)45-4)23(18-37)19-51-35(41)36-22-16-28(46-5)32(50-9)29(17-22)47-6/h12-17,23H,10-11,18-19H2,1-9H3,(H,36,41)
chemicalCompound:standardIn...	WKNNLSGOPCKNBX-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1cc(NC(=O)OCC2CN(CCN2C(=O)c3cc(OC)c(OC)c(OC)c3)C(=O)c4cc(OC)c(OC)c(OC)c4)cc(OC)c1OC
chemicalCompound:molecularF...	C35 H43 N3 O13
chemicalCompound:moleculeId	162
chemicalCompound:mwFreebase	713.728
chemicalCompound:alogp	3.418
chemicalCompound:hba	13
chemicalCompound:hbd	1
chemicalCompound:psa	162.01
chemicalCompound:rtb	15
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.221
chemicalCompound:acdLogP	1.132
chemicalCompound:acdLogD	1.132
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	713.728
chemicalCompound:acdMostBpk...	0.537
chemicalCompound:chemblId	CHEMBL267357
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:100162
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:57053