General Information of the Compound
| Compound ID |
CP0957083
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-Isopropyl-N-(3-(R)-1-pyrrolidin-2-ylmethyl-1H-indol-5-yl)-benzenesulfonamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H27N3O2S
|
||||||||||||||||||
| Molecular Weight |
397.544
|
||||||||||||||||||
| Canonical SMILES |
CC(C)c1ccc(S(=O)(=O)Nc2ccc3[nH]cc(C[C@H]4CCCN4)c3c2)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H27N3O2S/c1-15(2)16-5-8-20(9-6-16)28(26,27)25-19-7-10-22-21(13-19)17(14-24-22)12-18-4-3-11-23-18/h5-10,13-15,18,23-25H,3-4,11-12H2,1-2H3/t18-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
KTTVLQCVCOFIAK-GOSISDBHSA-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