General Information of the Compound
| Compound ID |
CP0849229
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
Trans-2-Chloro-5-trifluoromethyl-N-[4-(3,3,7-trimethyl-2-oxo-2,3-dihydro-indol-1-ylmethyl)-cyclohexyl]-benzamide
Show/Hide
|
||||||||||||||||||
| Formula |
C26H28ClF3N2O2
|
||||||||||||||||||
| Molecular Weight |
492.969
|
||||||||||||||||||
| Canonical SMILES |
Cc1cccc2c1N(C[C@H]1CC[C@H](NC(=O)c3cc(C(F)(F)F)ccc3Cl)CC1)C(=O)C2(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H28ClF3N2O2/c1-15-5-4-6-20-22(15)32(24(34)25(20,2)3)14-16-7-10-18(11-8-16)31-23(33)19-13-17(26(28,29)30)9-12-21(19)27/h4-6,9,12-13,16,18H,7-8,10-11,14H2,1-3H3,(H,31,33)/t16-,18-
Show/Hide
|
||||||||||||||||||
| InChIKey |
CKABLAFSGQCWHF-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