General Information of the Compound
| Compound ID |
CP0496085
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5-chloro-2-methoxy-N-[3-[[(2S)-1-methylpyrrolidin-2-yl]methyl]-1H-indol-5-yl]benzenesulfonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H24ClN3O3S
|
||||||||||||||||||
| Molecular Weight |
433.961
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(Cl)cc1S(=O)(=O)Nc1ccc2[nH]cc(C[C@@H]3CCCN3C)c2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H24ClN3O3S/c1-25-9-3-4-17(25)10-14-13-23-19-7-6-16(12-18(14)19)24-29(26,27)21-11-15(22)5-8-20(21)28-2/h5-8,11-13,17,23-24H,3-4,9-10H2,1-2H3/t17-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZGTSMVDQMGDNRS-KRWDZBQOSA-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