General Information of the Compound
| Compound ID |
CP0535292
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-(1H-benzimidazol-2-ylmethyl)-2-[3-[[2-(methylamino)ethylamino]methyl]phenyl]-5-(trifluoromethyl)pyrazole-3-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H24F3N7O
|
||||||||||||||||||
| Molecular Weight |
471.487
|
||||||||||||||||||
| Canonical SMILES |
CNCCNCc1cccc(c1)-n1nc(cc1C(=O)NCc1nc2ccccc2[nH]1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H24F3N7O/c1-27-9-10-28-13-15-5-4-6-16(11-15)33-19(12-20(32-33)23(24,25)26)22(34)29-14-21-30-17-7-2-3-8-18(17)31-21/h2-8,11-12,27-28H,9-10,13-14H2,1H3,(H,29,34)(H,30,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
XCYBGONTYDYPCS-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