General Information of the Compound
| Compound ID |
CP0955728
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-chloro-N3-(3-(trifluoromethyl)phenyl)benzo[b]thiophene-2,3-diamine hydrochloride
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C15H11Cl2F3N2S
|
||||||||||||||||||
| Molecular Weight |
379.234
|
||||||||||||||||||
| Canonical SMILES |
Cl.Nc1sc2ccc(Cl)cc2c1Nc1cccc(C(F)(F)F)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C15H10ClF3N2S.ClH/c16-9-4-5-12-11(7-9)13(14(20)22-12)21-10-3-1-2-8(6-10)15(17,18)19;/h1-7,21H,20H2;1H
Show/Hide
|
||||||||||||||||||
| InChIKey |
MPKUZCPHJRROBQ-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