General Information of the Compound
| Compound ID |
CP0485095
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[3-((S)-1-Methyl-pyrrolidin-2-ylmethyl)-indole-1-sulfonyl]-phenylamine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H23N3O2S
|
||||||||||||||||||
| Molecular Weight |
369.49
|
||||||||||||||||||
| Canonical SMILES |
CN1CCC[C@H]1Cc1cn(c2ccccc12)S(=O)(=O)c1ccc(N)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H23N3O2S/c1-22-12-4-5-17(22)13-15-14-23(20-7-3-2-6-19(15)20)26(24,25)18-10-8-16(21)9-11-18/h2-3,6-11,14,17H,4-5,12-13,21H2,1H3/t17-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
QJJTZXGUGNJLGS-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