General Information of the Compound
| Compound ID |
CP0902360
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
Trans-5-Chloro-N-[4-(3-ethyl-2-oxo-2,3-dihydro-benzoimidazol-1-ylmethyl)-cyclohexyl]-2-methyl-nicotinamide
Show/Hide
|
||||||||||||||||||
| Formula |
C23H27ClN4O2
|
||||||||||||||||||
| Molecular Weight |
426.948
|
||||||||||||||||||
| Canonical SMILES |
CCn1c(=O)n(C[C@H]2CC[C@H](NC(=O)c3cc(Cl)cnc3C)CC2)c2ccccc21
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H27ClN4O2/c1-3-27-20-6-4-5-7-21(20)28(23(27)30)14-16-8-10-18(11-9-16)26-22(29)19-12-17(24)13-25-15(19)2/h4-7,12-13,16,18H,3,8-11,14H2,1-2H3,(H,26,29)/t16-,18-
Show/Hide
|
||||||||||||||||||
| InChIKey |
FFMNQLRIMQJKNK-SAABIXHNSA-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
Protein ID: PT01588, Corticotropin-releasing factor receptor 1
Protein ID: PT02921, Corticotropin-releasing factor receptor 2