General Information of the Compound
| Compound ID |
CP0547463
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-amino-2-[(2S)-1-but-2-ynoylpiperidin-2-yl]-5-[4-[(4-cyanopyridin-2-yl)carbamoyl]phenyl]imidazole-4-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H24N8O3
|
||||||||||||||||||
| Molecular Weight |
496.531
|
||||||||||||||||||
| Canonical SMILES |
CC#CC(=O)N1CCCC[C@H]1c1nc(c(C(N)=O)n1N)-c1ccc(cc1)C(=O)Nc1cc(ccn1)C#N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H24N8O3/c1-2-5-21(35)33-13-4-3-6-19(33)25-32-22(23(24(28)36)34(25)29)17-7-9-18(10-8-17)26(37)31-20-14-16(15-27)11-12-30-20/h7-12,14,19H,3-4,6,13,29H2,1H3,(H2,28,36)(H,30,31,37)/t19-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
TWNLBBVCFXAXIV-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