164

Source:http://linkedlifedata.com/resource/chembl/compound/164

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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/C31H43N3O10/c1-9-19(2)16-32-31(37)44-18-22-17-33(29(35)20-12-23(38-3)27(42-7)24(13-20)39-4)10-11-34(22)30(36)21-14-25(40-5)28(43-8)26(15-21)41-6/h12-15,19,22H,9-11,16-18H2,1-8H3,(H,32,37)
chemicalCompound:standardIn...	OQXNKIVBKDLXLO-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCC(C)CNC(=O)OCC1CN(CCN1C(=O)c2cc(OC)c(OC)c(OC)c2)C(=O)c3cc(OC)c(OC)c(OC)c3
chemicalCompound:molecularF...	C31 H43 N3 O10
chemicalCompound:moleculeId	164
chemicalCompound:mwFreebase	617.687
chemicalCompound:alogp	3.539
chemicalCompound:hba	10
chemicalCompound:hbd	1
chemicalCompound:psa	134.33
chemicalCompound:rtb	14
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.808
chemicalCompound:acdLogP	2.387
chemicalCompound:acdLogD	2.387
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	617.687
chemicalCompound:chemblId	CHEMBL204022
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:100164
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:37223