General Information of the Compound
| Compound ID |
CP0955271
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(1-(2-chlorophenyl)-2-nitroethyl)-2-phenyl-1H-indole
Show/Hide
|
||||||||||||||||||
| Formula |
C22H17ClN2O2
|
||||||||||||||||||
| Molecular Weight |
376.843
|
||||||||||||||||||
| Canonical SMILES |
O=[N+]([O-])CC(c1ccccc1Cl)c1c(-c2ccccc2)[nH]c2ccccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H17ClN2O2/c23-19-12-6-4-10-16(19)18(14-25(26)27)21-17-11-5-7-13-20(17)24-22(21)15-8-2-1-3-9-15/h1-13,18,24H,14H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
FWEGGBUXRLCEQI-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