435293

Source:http://linkedlifedata.com/resource/chembl/compound/435293

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Named Graph Language Inference

Statements in which the resource exists as a subject.
Predicate	Object
rdf:type	chembl:ChemicalCompound
chemicalCompound:synonym	synonym:435293_Alvimopan_INN, synonym:435293_Alvimopan_USAN
chemicalCompound:standardIn...	InChI=1S/C25H32N2O4/c1-18-16-27(12-11-25(18,2)21-9-6-10-22(28)14-21)17-20(24(31)26-15-23(29)30)13-19-7-4-3-5-8-19/h3-10,14,18,20,28H,11-13,15-17H2,1-2H3,(H,26,31)(H,29,30)/t18-,20-,25+/m0/s1
chemicalCompound:standardIn...	UPNUIXSCZBYVBB-JVFUWBCBSA-N
chemicalCompound:canonicalS...	C[C@H]1CN(C[C@H](Cc2ccccc2)C(=O)NCC(=O)O)CC[C@@]1(C)c3cccc(O)c3
chemicalCompound:molecularF...	C25 H32 N2 O4
chemicalCompound:moleculeId	435293
chemicalCompound:mwFreebase	424.533
chemicalCompound:alogp	0.51
chemicalCompound:hba	5
chemicalCompound:hbd	3
chemicalCompound:psa	89.87
chemicalCompound:rtb	8
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	3.388
chemicalCompound:acdLogP	2.978
chemicalCompound:acdLogD	0.346
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	424.533
chemicalCompound:acdMostBpk...	7.975
chemicalCompound:chemblId	CHEMBL270190
chemicalCompound:maxPhase	4
chemicalCompound:therapeuti...	1
chemicalCompound:dosedIngre...	Yes
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:535293
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	Yes
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	Yes
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	ALVIMOPAN
chemicalCompound:firstAppro...	2008
chemicalCompound:activity	activity:2119441, activity:2119469, activity:2119489, activity:2119515, activity:2119543, activity:2119570, activity:2119585