178

Source:http://linkedlifedata.com/resource/chembl/compound/178

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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/c1-31(2,3)16-26(34)43-18-21-17-32(29(35)19-12-22(37-4)27(41-8)23(13-19)38-5)10-11-33(21)30(36)20-14-24(39-6)28(42-9)25(15-20)40-7/h12-15,21H,10-11,16-18H2,1-9H3
chemicalCompound:standardIn...	ZVGSBMSQLRSOHN-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1cc(cc(OC)c1OC)C(=O)N2CCN(C(COC(=O)CC(C)(C)C)C2)C(=O)c3cc(OC)c(OC)c(OC)c3
chemicalCompound:molecularF...	C31 H42 N2 O10
chemicalCompound:moleculeId	178
chemicalCompound:mwFreebase	602.673
chemicalCompound:alogp	3.476
chemicalCompound:hba	10
chemicalCompound:hbd	0
chemicalCompound:psa	122.3
chemicalCompound:rtb	13
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.483
chemicalCompound:acdLogD	2.483
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	602.673
chemicalCompound:chemblId	CHEMBL6232
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:100178
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:43194