General Information of the Compound
| Compound ID |
CP0157500
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(6-fluoro-2,3-dihydroindol-1-yl)-2-hydroxy-2-methylpropanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H17F4N3O2
|
||||||||||||||||||
| Molecular Weight |
407.367
|
||||||||||||||||||
| Canonical SMILES |
C[C@](O)(CN1CCc2ccc(F)cc12)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H17F4N3O2/c1-19(29,11-27-7-6-12-2-4-14(21)8-17(12)27)18(28)26-15-5-3-13(10-25)16(9-15)20(22,23)24/h2-5,8-9,29H,6-7,11H2,1H3,(H,26,28)/t19-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
HIABOGSWUZDUMS-IBGZPJMESA-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