General Information of the Compound
| Compound ID |
CP0166422
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[1-(3-amino-3-oxopropyl)-5-[(4-fluorobenzoyl)-methylamino]benzimidazol-2-yl]-4-cyanobenzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H21FN6O3
|
||||||||||||||||||
| Molecular Weight |
484.491
|
||||||||||||||||||
| Canonical SMILES |
CN(C(=O)c1ccc(F)cc1)c1ccc2n(CCC(N)=O)c(NC(=O)c3ccc(cc3)C#N)nc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H21FN6O3/c1-32(25(36)18-6-8-19(27)9-7-18)20-10-11-22-21(14-20)30-26(33(22)13-12-23(29)34)31-24(35)17-4-2-16(15-28)3-5-17/h2-11,14H,12-13H2,1H3,(H2,29,34)(H,30,31,35)
Show/Hide
|
||||||||||||||||||
| InChIKey |
IOQHKVXGXHYAJS-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