General Information of the Compound
| Compound ID |
CP0285440
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
7-(4-chlorophenyl)-2-(3-chlorophenyl)sulfonyl-3,4,5,6-tetrahydrodiazepine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H16Cl2N2O2S
|
||||||||||||||||||
| Molecular Weight |
383.3
|
||||||||||||||||||
| Canonical SMILES |
Clc1ccc(cc1)C1=NN(CCCC1)S(=O)(=O)c1cccc(Cl)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H16Cl2N2O2S/c18-14-9-7-13(8-10-14)17-6-1-2-11-21(20-17)24(22,23)16-5-3-4-15(19)12-16/h3-5,7-10,12H,1-2,6,11H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
HKFNEVBJSSKLCF-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