General Information of the Compound
| Compound ID |
CP0029082
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL4228182
Show/Hide
|
||||||||||||||||||
| Formula |
C23H25ClN2O3
|
||||||||||||||||||
| Molecular Weight |
412.917
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc2nccc(CC[C@H]3OC[C@@H](CO3)NCc3ccc(Cl)cc3)c2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H25ClN2O3/c1-27-20-7-8-22-21(12-20)17(10-11-25-22)4-9-23-28-14-19(15-29-23)26-13-16-2-5-18(24)6-3-16/h2-3,5-8,10-12,19,23,26H,4,9,13-15H2,1H3/t19-,23-
Show/Hide
|
||||||||||||||||||
| InChIKey |
PMWFWVQXXPHBLZ-UILWBTOOSA-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