29608

Source:http://linkedlifedata.com/resource/chembl/compound/29608

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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:29608_BMS-180291_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C25H32N2O5/c1-2-3-6-13-26-24(30)19-15-31-25(27-19)23-18(20-10-11-21(23)32-20)14-17-8-5-4-7-16(17)9-12-22(28)29/h4-5,7-8,15,18,20-21,23H,2-3,6,9-14H2,1H3,(H,26,30)(H,28,29)
chemicalCompound:standardIn...	BBPRUNPUJIUXSE-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCCCCNC(=O)c1coc(n1)C2C(Cc3ccccc3CCC(=O)O)C4CCC2O4
chemicalCompound:molecularF...	C25 H32 N2 O5
chemicalCompound:moleculeId	29608
chemicalCompound:mwFreebase	440.532
chemicalCompound:alogp	3.892
chemicalCompound:hba	5
chemicalCompound:hbd	2
chemicalCompound:psa	101.66
chemicalCompound:rtb	11
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	4.684
chemicalCompound:acdLogP	3.121
chemicalCompound:acdLogD	0.442
chemicalCompound:molecularS...	molecularSpecies:ACID
chemicalCompound:fullMwt	440.532
chemicalCompound:chemblId	CHEMBL283100
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:129608
chemicalCompound:moleculeTy...	moleculeType:Small molecule
chemicalCompound:oral	No
chemicalCompound:parenteral	No
chemicalCompound:topical	No
chemicalCompound:blackBoxWa...	No
chemicalCompound:naturalPro...	No
chemicalCompound:proDrug	No
chemicalCompound:prefName	BMS-180291
chemicalCompound:activity	activity:573133, activity:573134, activity:573135, activity:573136, activity:573137, activity:573138, activity:634103, activity:634104, activity:634105, activity:634106, activity:634107, activity:634108, activity:634109, activity:634110, activity:634111, activity:634112, activity:700186, activity:700187, activity:5084521