General Information of the Compound
| Compound ID |
CP0401544
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(2,2,3,3-Ttetramethylcyclopropyl)(1-(2-(thiophen-3-yl)ethyl)-1H-indol-3-yl)methanone
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H25NOS
|
||||||||||||||||||
| Molecular Weight |
351.515
|
||||||||||||||||||
| Canonical SMILES |
CC1(C)C(C(=O)c2cn(CCc3ccsc3)c3ccccc23)C1(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H25NOS/c1-21(2)20(22(21,3)4)19(24)17-13-23(11-9-15-10-12-25-14-15)18-8-6-5-7-16(17)18/h5-8,10,12-14,20H,9,11H2,1-4H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
KWTXZVBKQWNQBB-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