General Information of the Compound
| Compound ID |
CP0908894
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
SID144194916
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C26H32N2O3
|
||||||||||||||||||
| Molecular Weight |
420.553
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(-c2ccc3c(c2)[C@@H]2[C@@H](CCN2C(=O)C2CCCC2)[C@H](CO)N3C)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C26H32N2O3/c1-27-23-12-9-19(17-7-10-20(31-2)11-8-17)15-22(23)25-21(24(27)16-29)13-14-28(25)26(30)18-5-3-4-6-18/h7-12,15,18,21,24-25,29H,3-6,13-14,16H2,1-2H3/t21-,24-,25-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
YQWIJICZKLPPJF-TUSQITKMSA-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