General Information of the Compound
| Compound ID |
CP0514476
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[3-[[2-(4-imidazol-1-ylanilino)-5-nitropyrimidin-4-yl]amino]phenyl]prop-2-enamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H18N8O3
|
||||||||||||||||||
| Molecular Weight |
442.439
|
||||||||||||||||||
| Canonical SMILES |
[O-][N+](=O)c1cnc(Nc2ccc(cc2)-n2ccnc2)nc1Nc1cccc(NC(=O)C=C)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H18N8O3/c1-2-20(31)25-16-4-3-5-17(12-16)26-21-19(30(32)33)13-24-22(28-21)27-15-6-8-18(9-7-15)29-11-10-23-14-29/h2-14H,1H2,(H,25,31)(H2,24,26,27,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
QJDZQTWIVCSFGX-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