General Information of the Compound
| Compound ID |
CP0285135
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(3S)-1-(3-(4-bromophenylamino)-3-oxopropyl)-3-(ethoxycarbonyl)piperidinium
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C17H23BrN2O3
|
||||||||||||||||||
| Molecular Weight |
383.286
|
||||||||||||||||||
| Canonical SMILES |
CCOC(=O)[C@H]1CCCN(CCC(=O)Nc2ccc(Br)cc2)C1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C17H23BrN2O3/c1-2-23-17(22)13-4-3-10-20(12-13)11-9-16(21)19-15-7-5-14(18)6-8-15/h5-8,13H,2-4,9-12H2,1H3,(H,19,21)/t13-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
NKOBSUNOWDPVLX-ZDUSSCGKSA-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