General Information of the Compound
| Compound ID |
CP0383421
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-Fluoro-5-(5-isopropyl-5-thien-2-yl-2-thioxo-1,2,3,5-tetrahydo-4,1-benzoxazepin-7-yl)benzonitrile
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H19FN2OS2
|
||||||||||||||||||
| Molecular Weight |
422.55
|
||||||||||||||||||
| Canonical SMILES |
CC(C)C1(OCC(=S)Nc2ccc(cc12)-c1cc(F)cc(c1)C#N)c1cccs1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H19FN2OS2/c1-14(2)23(21-4-3-7-29-21)19-11-16(5-6-20(19)26-22(28)13-27-23)17-8-15(12-25)9-18(24)10-17/h3-11,14H,13H2,1-2H3,(H,26,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
MQKFQQKZVWPIOR-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