General Information of the Compound
| Compound ID |
CP0506013
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-aminobenzimidazole-based compound, 23
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H22FN5O
|
||||||||||||||||||
| Molecular Weight |
403.461
|
||||||||||||||||||
| Canonical SMILES |
CC(C)N(C)c1nc2ccc(NC(=O)c3cncc(c3)-c3ccc(F)cc3)cc2[nH]1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H22FN5O/c1-14(2)29(3)23-27-20-9-8-19(11-21(20)28-23)26-22(30)17-10-16(12-25-13-17)15-4-6-18(24)7-5-15/h4-14H,1-3H3,(H,26,30)(H,27,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
OLYJZGBQHUBNII-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