General Information of the Compound
| Compound ID |
CP0577244
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-amino-2-[(2S)-1-but-2-ynoylpiperidin-2-yl]-5-[4-[(4-methoxypyridin-2-yl)carbamoyl]phenyl]imidazole-4-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H27N7O4
|
||||||||||||||||||
| Molecular Weight |
501.547
|
||||||||||||||||||
| Canonical SMILES |
COc1ccnc(NC(=O)c2ccc(cc2)-c2nc([C@@H]3CCCCN3C(=O)C#CC)n(N)c2C(N)=O)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H27N7O4/c1-3-6-21(34)32-14-5-4-7-19(32)25-31-22(23(24(27)35)33(25)28)16-8-10-17(11-9-16)26(36)30-20-15-18(37-2)12-13-29-20/h8-13,15,19H,4-5,7,14,28H2,1-2H3,(H2,27,35)(H,29,30,36)/t19-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
LUSHSIMWQUCCRE-IBGZPJMESA-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