158

Source:http://linkedlifedata.com/resource/chembl/compound/158

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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/C34H49N3O10/c1-9-11-13-35(14-12-10-2)34(40)47-22-25-21-36(32(38)23-17-26(41-3)30(45-7)27(18-23)42-4)15-16-37(25)33(39)24-19-28(43-5)31(46-8)29(20-24)44-6/h17-20,25H,9-16,21-22H2,1-8H3
chemicalCompound:standardIn...	KOMAGQAIKGCREJ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCCCN(CCCC)C(=O)OCC1CN(CCN1C(=O)c2cc(OC)c(OC)c(OC)c2)C(=O)c3cc(OC)c(OC)c(OC)c3
chemicalCompound:molecularF...	C34 H49 N3 O10
chemicalCompound:moleculeId	158
chemicalCompound:mwFreebase	659.767
chemicalCompound:alogp	4.754
chemicalCompound:hba	10
chemicalCompound:hbd	0
chemicalCompound:psa	125.54
chemicalCompound:rtb	17
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	4.022
chemicalCompound:acdLogD	4.022
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	659.767
chemicalCompound:chemblId	CHEMBL6319
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:100158
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:33543