General Information of the Compound
| Compound ID |
CP0440036
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2S)-N-[4-cyano-3-(trifluoromethyl)phenyl]-3-(4-fluoro-5-phenylindol-1-yl)-2-hydroxy-2-methylpropanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H19F4N3O2
|
||||||||||||||||||
| Molecular Weight |
481.449
|
||||||||||||||||||
| Canonical SMILES |
C[C@](O)(Cn1ccc2c(F)c(ccc12)-c1ccccc1)C(=O)Nc1ccc(C#N)c(c1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H19F4N3O2/c1-25(35,24(34)32-18-8-7-17(14-31)21(13-18)26(28,29)30)15-33-12-11-20-22(33)10-9-19(23(20)27)16-5-3-2-4-6-16/h2-13,35H,15H2,1H3,(H,32,34)/t25-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
BWAFDNSBMGZBLB-VWLOTQADSA-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