Statements in which the resource exists as a subject.
PredicateObject
rdf:type
chemicalCompound:synonym
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...
chemicalCompound:fullMwt
331.323
chemicalCompound:acdMostBpk...
4.574
chemicalCompound:chemblId
CHEMBL299564
chemicalCompound:maxPhase
0
chemicalCompound:therapeuti...
0
chemicalCompound:dosedIngre...
No
chemicalCompound:structureT...
chemicalCompound:chebi
chemicalCompound:moleculeTy...
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
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