General Information of the Compound
| Compound ID |
CP0419506
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(1,2,5,6-Tetrahydro-pyridin-3-yl)-1-(3-trifluoromethyl-benzenesulfonyl)-1H-indole
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H17F3N2O2S
|
||||||||||||||||||
| Molecular Weight |
406.429
|
||||||||||||||||||
| Canonical SMILES |
FC(F)(F)c1cccc(c1)S(=O)(=O)n1cc(C2=CCCNC2)c2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H17F3N2O2S/c21-20(22,23)15-6-3-7-16(11-15)28(26,27)25-13-18(14-5-4-10-24-12-14)17-8-1-2-9-19(17)25/h1-3,5-9,11,13,24H,4,10,12H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
MDMFSOSVWCLIMY-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