General Information of the Compound
| Compound ID |
CP0914616
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(2-nitro-1-(o-tolyl)ethyl)-2-phenyl-1H-indole
Show/Hide
|
||||||||||||||||||
| Formula |
C23H20N2O2
|
||||||||||||||||||
| Molecular Weight |
356.425
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccccc1C(C[N+](=O)[O-])c1c(-c2ccccc2)[nH]c2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H20N2O2/c1-16-9-5-6-12-18(16)20(15-25(26)27)22-19-13-7-8-14-21(19)24-23(22)17-10-3-2-4-11-17/h2-14,20,24H,15H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
YETFDRBZGXBULL-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 | |||||||||||||||||||
| 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