42596

Source:http://linkedlifedata.com/resource/chembl/compound/42596

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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/C33H41NO6/c1-6-7-17-38-29(37)34-26(21-13-9-8-10-14-21)27(35)28(36)39-25-18-24-30(3,4)31(25,5)32-19-20(2)22-15-11-12-16-23(22)33(24,32)40-32/h8-16,20,24-27,35H,6-7,17-19H2,1-5H3,(H,34,37)/t20-,24?,25?,26-,27+,31?,32-,33+/m0/s1
chemicalCompound:standardIn...	DLDDFAFUISETIQ-IWRMMVAGSA-N
chemicalCompound:canonicalS...	CCCCOC(=O)N[C@H]([C@@H](O)C(=O)OC1CC2C(C)(C)C1(C)[C@@]34C[C@H](C)c5ccccc5[C@@]23O4)c6ccccc6
chemicalCompound:molecularF...	C33 H41 N O6
chemicalCompound:moleculeId	42596
chemicalCompound:mwFreebase	547.682
chemicalCompound:alogp	5.438
chemicalCompound:hba	6
chemicalCompound:hbd	2
chemicalCompound:psa	97.39
chemicalCompound:rtb	10
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	2
chemicalCompound:medChemFri...	N
chemicalCompound:acdMostApk...	11.117
chemicalCompound:acdLogP	5.605
chemicalCompound:acdLogD	5.604
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	547.682
chemicalCompound:chemblId	CHEMBL31862
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:142596
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:459301