General Information of the Compound
| Compound ID |
CP0959413
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
3-(1-cyclohexyl-2-nitroethyl)-2-phenyl-1H-indole
Show/Hide
|
||||||||||||||||||
| Formula |
C22H24N2O2
|
||||||||||||||||||
| Molecular Weight |
348.446
|
||||||||||||||||||
| Canonical SMILES |
O=[N+]([O-])CC(c1c(-c2ccccc2)[nH]c2ccccc12)C1CCCCC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H24N2O2/c25-24(26)15-19(16-9-3-1-4-10-16)21-18-13-7-8-14-20(18)23-22(21)17-11-5-2-6-12-17/h2,5-8,11-14,16,19,23H,1,3-4,9-10,15H2
Show/Hide
|
||||||||||||||||||
| InChIKey |
NTWTVTIDTIARLD-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