84295

Source:http://linkedlifedata.com/resource/chembl/compound/84295

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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:84295_NSC-123111_RESEARCH_CODE
chemicalCompound:standardIn...	InChI=1S/C16H17N3O5/c1-6-13(20)12-9(14(21)15(6)23-3)7(5-24-16(17)22)10-11-8(18(11)2)4-19(10)12/h8,11H,4-5H2,1-3H3,(H2,17,22)
chemicalCompound:standardIn...	FSJQMPDKDHPEJH-UHFFFAOYSA-N
chemicalCompound:canonicalS...	COC1=C(C)C(=O)c2c(C1=O)c(COC(=O)N)c3C4C(Cn23)N4C
chemicalCompound:molecularF...	C16H17N3O5
chemicalCompound:moleculeId	84295
chemicalCompound:mwFreebase	331.323
chemicalCompound:alogp	1
chemicalCompound:hba	6
chemicalCompound:hbd	1
chemicalCompound:psa	103.63
chemicalCompound:rtb	4
chemicalCompound:ro3Pass	N
chemicalCompound:numRo5viol...	0
chemicalCompound:medChemFri...	Y
chemicalCompound:acdMostApk...	13.15
chemicalCompound:acdLogP	0.213
chemicalCompound:acdLogD	0.212
chemicalCompound:molecularS...	molecularSpecies:NEUTRAL
chemicalCompound:fullMwt	331.323
chemicalCompound:acdMostBpk...	4.574
chemicalCompound:chemblId	CHEMBL299564
chemicalCompound:maxPhase	0
chemicalCompound:therapeuti...	0
chemicalCompound:dosedIngre...	No
chemicalCompound:structureT...	structureType:MOL
chemicalCompound:chebi	https://linkedlifedata.com/resource/chebi/id/CHEBI:184295
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:971076, activity:971077, activity:971078, activity:971079, activity:971080, activity:971081, activity:971082, activity:971083, activity:971084, activity:971085, activity:971086, activity:971087, activity:3234975, activity:3234982, activity:3234983, activity:3234998, activity:3235001, activity:3235004, activity:3235007, activity:3235008, activity:3235009, activity:3235010, activity:3235016, activity:3235017, activity:3235019, activity:8242148, activity:8252456, activity:8364848, activity:8392715, activity:8429864, activity:8472156, activity:8509756, activity:8557097, activity:8568378, activity:8630806, activity:8637848, activity:8696280, activity:8720284, activity:8742738, activity:8835240, activity:8846877, activity:8875616, activity:8891153, activity:8954769, activity:8996365, activity:9013095, activity:9055148, activity:9104902, activity:9151475, activity:9171776, activity:9268853, activity:9280226, activity:9344207, activity:9409374, activity:9416137, activity:9488403, activity:9495021, activity:9522736, activity:9663548, activity:9708696, activity:9835540, activity:9850998, activity:9884509, activity:9922491, activity:9997216