General Information of the Compound
| Compound ID |
CP0373398
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
6-methoxy-1-(oxan-4-ylmethyl)-3-[(2,2,3,3-tetramethylcyclopropyl)carbonyl]-1H-indole
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H31NO3
|
||||||||||||||||||
| Molecular Weight |
369.505
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc2c(cn(CC3CCOCC3)c2c1)C(=O)C1C(C)(C)C1(C)C
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H31NO3/c1-22(2)21(23(22,3)4)20(25)18-14-24(13-15-8-10-27-11-9-15)19-12-16(26-5)6-7-17(18)19/h6-7,12,14-15,21H,8-11,13H2,1-5H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
JWKATRJTLFUZFN-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