General Information of the Compound
| Compound ID |
CP0551741
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-methyl-N-[4-(5,6,7,8-tetrahydrothieno[3,2-b]azepine-4-carbonyl)phenyl]benzamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H22N2O2S
|
||||||||||||||||||
| Molecular Weight |
390.508
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccccc1C(=O)Nc1ccc(cc1)C(=O)N1CCCCc2sccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H22N2O2S/c1-16-6-2-3-7-19(16)22(26)24-18-11-9-17(10-12-18)23(27)25-14-5-4-8-21-20(25)13-15-28-21/h2-3,6-7,9-13,15H,4-5,8,14H2,1H3,(H,24,26)
Show/Hide
|
||||||||||||||||||
| InChIKey |
RAUFXRRMDGEHCK-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