General Information of the Compound
| Compound ID |
CP0871595
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
Trans-N-[4-(3,3-Dimethyl-2-oxo-2,3-dihydro-indol-1-ylmethyl)-cyclohexyl]-2-methyl-5-trifluoromethyl-nicotinamide
Show/Hide
|
||||||||||||||||||
| Formula |
C25H28F3N3O2
|
||||||||||||||||||
| Molecular Weight |
459.512
|
||||||||||||||||||
| Canonical SMILES |
Cc1ncc(C(F)(F)F)cc1C(=O)N[C@H]1CC[C@H](CN2C(=O)C(C)(C)c3ccccc32)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H28F3N3O2/c1-15-19(12-17(13-29-15)25(26,27)28)22(32)30-18-10-8-16(9-11-18)14-31-21-7-5-4-6-20(21)24(2,3)23(31)33/h4-7,12-13,16,18H,8-11,14H2,1-3H3,(H,30,32)/t16-,18-
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZJJNZJXUXNWWGA-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