General Information of the Compound
| Compound ID |
CP0573917
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[(2,2,2-trifluoroacetyl)amino]-N-[4-(trifluoromethyl)phenyl]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H16F6N2O2S
|
||||||||||||||||||
| Molecular Weight |
450.404
|
||||||||||||||||||
| Canonical SMILES |
FC(F)(F)C(=O)Nc1sc2CCCCCc2c1C(=O)Nc1ccc(cc1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H16F6N2O2S/c20-18(21,22)10-6-8-11(9-7-10)26-15(28)14-12-4-2-1-3-5-13(12)30-16(14)27-17(29)19(23,24)25/h6-9H,1-5H2,(H,26,28)(H,27,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
PNKMMVOTUMCION-UHFFFAOYSA-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