General Information of the Compound
| Compound ID |
CP0077493
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(tert-butylamino)-4-[[2-(1H-indazol-5-ylamino)pyrimidin-4-yl]amino]cyclobut-3-ene-1,2-dione
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H19N7O2
|
||||||||||||||||||
| Molecular Weight |
377.408
|
||||||||||||||||||
| Canonical SMILES |
CC(C)(C)Nc1c(Nc2ccnc(Nc3ccc4[nH]ncc4c3)n2)c(=O)c1=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H19N7O2/c1-19(2,3)25-15-14(16(27)17(15)28)23-13-6-7-20-18(24-13)22-11-4-5-12-10(8-11)9-21-26-12/h4-9,25H,1-3H3,(H,21,26)(H2,20,22,23,24)
Show/Hide
|
||||||||||||||||||
| InChIKey |
GEWGELYHGXTZQJ-UHFFFAOYSA-N
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound