General Information of the Compound
| Compound ID |
CP0856620
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
SID103158992
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H27ClN2O4S
|
||||||||||||||||||
| Molecular Weight |
487.021
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(C(=O)NCC(c2cccs2)N2CCOCC2)ccc1OCc1ccc(Cl)cc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H27ClN2O4S/c1-30-23-15-19(6-9-22(23)32-17-18-4-7-20(26)8-5-18)25(29)27-16-21(24-3-2-14-33-24)28-10-12-31-13-11-28/h2-9,14-15,21H,10-13,16-17H2,1H3,(H,27,29)
Show/Hide
|
||||||||||||||||||
| InChIKey |
AEEBGKXNVFBLSS-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