165

Source:http://linkedlifedata.com/resource/chembl/compound/165

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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/c1-9-11-12-22(10-2)19-35-34(40)47-21-25-20-36(32(38)23-15-26(41-3)30(45-7)27(16-23)42-4)13-14-37(25)33(39)24-17-28(43-5)31(46-8)29(18-24)44-6/h15-18,22,25H,9-14,19-21H2,1-8H3,(H,35,40)
chemicalCompound:standardIn...	RRRURLRTEPJQRT-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCCCC(CC)CNC(=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	165
chemicalCompound:mwFreebase	659.767
chemicalCompound:alogp	4.907
chemicalCompound:hba	10
chemicalCompound:hbd	1
chemicalCompound:psa	134.33
chemicalCompound:rtb	17
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	12.645
chemicalCompound:acdLogP	3.916
chemicalCompound:acdLogD	3.916
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	659.767
chemicalCompound:chemblId	CHEMBL6350
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:100165
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:67309