171

Source:http://linkedlifedata.com/resource/chembl/compound/171

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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/C30H40N2O10/c1-30(2,3)29(35)42-17-20-16-31(27(33)18-12-21(36-4)25(40-8)22(13-18)37-5)10-11-32(20)28(34)19-14-23(38-6)26(41-9)24(15-19)39-7/h12-15,20H,10-11,16-17H2,1-9H3
chemicalCompound:standardIn...	BXIGZIXGNMVVFJ-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COc1cc(cc(OC)c1OC)C(=O)N2CCN(C(COC(=O)C(C)(C)C)C2)C(=O)c3cc(OC)c(OC)c(OC)c3
chemicalCompound:molecularF...	C30 H40 N2 O10
chemicalCompound:moleculeId	171
chemicalCompound:mwFreebase	588.646
chemicalCompound:alogp	3.441
chemicalCompound:hba	10
chemicalCompound:hbd	0
chemicalCompound:psa	122.3
chemicalCompound:rtb	12
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	1
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	1.974
chemicalCompound:acdLogD	1.974
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	588.646
chemicalCompound:chemblId	CHEMBL268596
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:100171
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:42024, activity:42025, activity:57050, activity:57051, activity:57054, activity:57055, activity:67491, activity:67492, activity:67493