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,
activity:10021458,
activity:10051968,
activity:10134034,
activity:10158213,
activity:10222139,
activity:10242340,
activity:10262268,
activity:10299201,
activity:10365514,
activity:10389041,
activity:10407485,
activity:10486508,
activity:10504974,
activity:10575366,
activity:10653129,
activity:10688373,
activity:10734305,
activity:10752767,
activity:10785834
|