General Information of the Compound
| Compound ID |
CP0279824
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-chloro-1-(3-chlorophenylsulfonyl)-1,5,6,7,8,9-hexahydroazepino[4,5-f]indole
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C18H16Cl2N2O2S
|
||||||||||||||||||
| Molecular Weight |
395.311
|
||||||||||||||||||
| Canonical SMILES |
Clc1cn(c2cc3CCNCCc3cc12)S(=O)(=O)c1cccc(Cl)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C18H16Cl2N2O2S/c19-14-2-1-3-15(10-14)25(23,24)22-11-17(20)16-8-12-4-6-21-7-5-13(12)9-18(16)22/h1-3,8-11,21H,4-7H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
PMMKHGYQMNVMIC-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