|
rdf:type |
|
|
chemicalCompound:synonym |
|
|
chemicalCompound:standardIn... |
InChI=1S/C8H12N4O5/c9-7-10-2-12(8(16)11-7)6-5(15)4(14)3(1-13)17-6/h2-6,13-15H,1H2,(H2,9,11,16)/t3-,4-,5-,6-/m1/s1
|
|
chemicalCompound:standardIn... |
NMUSYJAQQFHJEW-KVTDHHQDSA-N
|
|
chemicalCompound:canonicalS... |
NC1=NC(=O)N(C=N1)[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O
|
|
chemicalCompound:molecularF... |
C8H12N4O5
|
|
chemicalCompound:moleculeId |
418401
|
|
chemicalCompound:mwFreebase |
244.205
|
|
chemicalCompound:alogp |
-2.505
|
|
chemicalCompound:hba |
8
|
|
chemicalCompound:hbd |
4
|
|
chemicalCompound:psa |
140.97
|
|
chemicalCompound:rtb |
2
|
|
chemicalCompound:ro3Pass |
N
|
|
chemicalCompound:numRo5viol... |
0
|
|
chemicalCompound:medChemFri... |
Y
|
|
chemicalCompound:acdMostApk... |
13.458
|
|
chemicalCompound:acdLogP |
-2.191
|
|
chemicalCompound:acdLogD |
-2.191
|
|
chemicalCompound:molecularS... |
|
|
chemicalCompound:fullMwt |
244.205
|
|
chemicalCompound:acdMostBpk... |
3.285
|
|
chemicalCompound:chemblId |
CHEMBL1489
|
|
chemicalCompound:maxPhase |
4
|
|
chemicalCompound:therapeuti... |
1
|
|
chemicalCompound:dosedIngre... |
Yes
|
|
chemicalCompound:structureT... |
|
|
chemicalCompound:chebi |
|
|
chemicalCompound:moleculeTy... |
|
|
chemicalCompound:oral |
No
|
|
chemicalCompound:parenteral |
Yes
|
|
chemicalCompound:topical |
No
|
|
chemicalCompound:blackBoxWa... |
No
|
|
chemicalCompound:naturalPro... |
Yes
|
|
chemicalCompound:proDrug |
Yes
|
|
chemicalCompound:prefName |
AZACITIDINE
|
|
chemicalCompound:chebiParen... |
|
|
chemicalCompound:firstAppro... |
2004
|
|
chemicalCompound:activity |
activity:140258,
activity:414587,
activity:414588,
activity:895879,
activity:2062606,
activity:2356495,
activity:2356515,
activity:2356522,
activity:2356530,
activity:2431605,
activity:2431630,
activity:2431643,
activity:2431659,
activity:2431677,
activity:2431704,
activity:2431710,
activity:2431723,
activity:2588774,
activity:2588786,
activity:3491214,
activity:3607856,
activity:3646866,
activity:3656584,
activity:3657925,
activity:3675751,
activity:3698364,
activity:3764303,
activity:3768651,
activity:3770475,
activity:3772232,
activity:3772645,
activity:3774705,
activity:3777873,
activity:3778815,
activity:3854875,
activity:3894520,
activity:3902726,
activity:3903932,
activity:3919375,
activity:3919614,
activity:3940514,
activity:3942274,
activity:3951256,
activity:4060951,
activity:4078735,
activity:4106290,
activity:4120897,
activity:4128586,
activity:4291368,
activity:4303730,
activity:4358414,
activity:4370515,
activity:4389398,
activity:4403281,
activity:4522698,
activity:4586676,
activity:4588933,
activity:4591093,
activity:4639530,
activity:4670670,
activity:4686312,
activity:4689239,
activity:4713996,
activity:4723402,
activity:4745549,
activity:4745984,
activity:4783588,
activity:4787550,
activity:4803347,
activity:4805544,
activity:4858606,
activity:4864978,
activity:4868800,
activity:4872765,
activity:4892531,
activity:4901519,
activity:4902001,
activity:4925881,
activity:4976406,
activity:4980552,
activity:5000817,
activity:5012269,
activity:5019519,
activity:5020536,
activity:5022675,
activity:5065020,
activity:5065224,
activity:5070295,
activity:5078210,
activity:5079846,
activity:5080213,
activity:5080321,
activity:5083561,
activity:5316156,
activity:5316825,
activity:5317039,
activity:5317990,
activity:5318941,
activity:5337490,
activity:5345490,
activity:5393523,
activity:5521731,
activity:5535193,
activity:5647241,
activity:5658673,
activity:5683527,
activity:5739721,
activity:5775937,
activity:5863231,
activity:5867213,
activity:5874892,
activity:5880746,
activity:5945760,
activity:5975567,
activity:5983406,
activity:6447091,
activity:6455413,
activity:6469919,
activity:6562392,
activity:6562410,
activity:6624249,
activity:7011321,
activity:7042209,
activity:7048574,
activity:7050885,
activity:7052427,
activity:7059191,
activity:7066528,
activity:7227904,
activity:7250094,
activity:7295076,
activity:7340413,
activity:7361925,
activity:7439058,
activity:7446020,
activity:7446334,
activity:7455717,
activity:7457256,
activity:7458997,
activity:7460805,
activity:7464484,
activity:7496259,
activity:7518270,
activity:7523977,
activity:7538496,
activity:7616102,
activity:7616103,
activity:7616104,
activity:7616105,
activity:7616106,
activity:7616107,
activity:7616108,
activity:7616109,
activity:7616110,
activity:7616111,
activity:7616112
|
