General Information of the Compound
| Compound ID |
CP0890545
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
SID49823076
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H22N2O4S2
|
||||||||||||||||||
| Molecular Weight |
442.562
|
||||||||||||||||||
| Canonical SMILES |
COc1cccc(/C=C2\SC(=S)N(CCC(=O)NCCc3ccc(O)cc3)C2=O)c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H22N2O4S2/c1-28-18-4-2-3-16(13-18)14-19-21(27)24(22(29)30-19)12-10-20(26)23-11-9-15-5-7-17(25)8-6-15/h2-8,13-14,25H,9-12H2,1H3,(H,23,26)/b19-14-
Show/Hide
|
||||||||||||||||||
| InChIKey |
XRWRTVQJGXKDIA-RGEXLXHISA-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
Protein ID: PT06109, Geminin
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06124, Paired box protein Pax-8