General Information of the Compound
| Compound ID |
CP0376046
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
5'-(3-nitrophenyl)spiro[cyclohexane-1,3'-indol]-2'(1'H)-one
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H18N2O3
|
||||||||||||||||||
| Molecular Weight |
322.364
|
||||||||||||||||||
| Canonical SMILES |
[O-][N+](=O)c1cccc(c1)-c1ccc2NC(=O)C3(CCCCC3)c2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H18N2O3/c22-18-19(9-2-1-3-10-19)16-12-14(7-8-17(16)20-18)13-5-4-6-15(11-13)21(23)24/h4-8,11-12H,1-3,9-10H2,(H,20,22)
Show/Hide
|
||||||||||||||||||
| InChIKey |
IEJRGCKSKIRXCW-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