169

Source:http://linkedlifedata.com/resource/chembl/compound/169

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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/C31H42N2O10/c1-8-9-10-11-27(34)43-19-22-18-32(30(35)20-14-23(37-2)28(41-6)24(15-20)38-3)12-13-33(22)31(36)21-16-25(39-4)29(42-7)26(17-21)40-5/h14-17,22H,8-13,18-19H2,1-7H3
chemicalCompound:standardIn...	URTKPOVVQZNBPW-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCCCCC(=O)OCC1CN(CCN1C(=O)c2cc(OC)c(OC)c(OC)c2)C(=O)c3cc(OC)c(OC)c(OC)c3
chemicalCompound:molecularF...	C31 H42 N2 O10
chemicalCompound:moleculeId	169
chemicalCompound:mwFreebase	602.673
chemicalCompound:alogp	3.93
chemicalCompound:hba	10
chemicalCompound:hbd	0
chemicalCompound:psa	122.3
chemicalCompound:rtb	15
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.738
chemicalCompound:acdLogD	2.738
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	602.673
chemicalCompound:chemblId	CHEMBL258253
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:100169
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:69964