General Information of the Compound
| Compound ID |
CP0847686
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
SID51090288
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H23NO5
|
||||||||||||||||||
| Molecular Weight |
357.406
|
||||||||||||||||||
| Canonical SMILES |
COc1cc2c(c(OC)c1OC)-c1ccc(O)cc1[C@@H](NC(C)=O)CC2
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H23NO5/c1-11(22)21-16-8-5-12-9-17(24-2)19(25-3)20(26-4)18(12)14-7-6-13(23)10-15(14)16/h6-7,9-10,16,23H,5,8H2,1-4H3,(H,21,22)/t16-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
WJJZQSCOTJYYSP-INIZCTEOSA-N
|
||||||||||||||||||
| CAS |
38838-26-5
|
||||||||||||||||||
| 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: PT06172, Mothers against decapentaplegic homolog 3
Protein ID: PT06124, Paired box protein Pax-8