General Information of the Compound
| Compound ID |
CP0023683
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL4229223
Show/Hide
|
||||||||||||||||||
| Formula |
C25H29N3O4
|
||||||||||||||||||
| Molecular Weight |
435.524
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc2nccc(CC[C@H]3OC[C@@H](CO3)NCc3cc4CCCOc4cn3)c2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H29N3O4/c1-29-21-5-6-23-22(12-21)17(8-9-26-23)4-7-25-31-15-20(16-32-25)27-13-19-11-18-3-2-10-30-24(18)14-28-19/h5-6,8-9,11-12,14,20,25,27H,2-4,7,10,13,15-16H2,1H3/t20-,25-
Show/Hide
|
||||||||||||||||||
| InChIKey |
XSXONJWDSRZBAF-WBANQOEISA-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