302965

Source:http://linkedlifedata.com/resource/chembl/compound/302965

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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:302965_RWJ-68141_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C24H35N3O5/c1-4-31-24(30)21-9-10-23(29)27(21)17-19(28)11-12-25-13-15-26(16-14-25)20-7-5-6-8-22(20)32-18(2)3/h5-8,18,21H,4,9-17H2,1-3H3
chemicalCompound:standardIn...	WOLMQTMNCPQASG-UHFFFAOYSA-N
chemicalCompound:canonicalS...	CCOC(=O)C1CCC(=O)N1CC(=O)CCN2CCN(CC2)c3ccccc3OC(C)C
chemicalCompound:molecularF...	C24 H35 N3 O5
chemicalCompound:moleculeId	302965
chemicalCompound:mwFreebase	445.552
chemicalCompound:alogp	2.202
chemicalCompound:hba	7
chemicalCompound:hbd	0
chemicalCompound:psa	79.39
chemicalCompound:rtb	11
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdLogP	2.171
chemicalCompound:acdLogD	1.812
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	445.552
chemicalCompound:acdMostBpk...	7.238
chemicalCompound:chemblId	CHEMBL180312
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:402965
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:1429275