General Information of the Compound
| Compound ID |
CP0874539
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-Chloro-3-methyl-benzo[b]thiophene-2-sulfonic acid [1-(2-dimethylamino-ethyl)-2,3-dihydro-1H-indol-6-yl]-amide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H22ClN3O2S2
|
||||||||||||||||||
| Molecular Weight |
448.013
|
||||||||||||||||||
| Canonical SMILES |
Cc1c(S(=O)(=O)Nc2ccc3ccn(CCN(C)C)c3c2)sc2ccc(Cl)cc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H22ClN3O2S2/c1-14-18-12-16(22)5-7-20(18)28-21(14)29(26,27)23-17-6-4-15-8-9-25(19(15)13-17)11-10-24(2)3/h4-9,12-13,23H,10-11H2,1-3H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
XZVDXFRDHYGZQO-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