General Information of the Compound
| Compound ID |
CP0846670
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
SID7973622
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H18N2O5
|
||||||||||||||||||
| Molecular Weight |
366.373
|
||||||||||||||||||
| Canonical SMILES |
CC1=C(C(=O)OCc2ccc3c(c2)OCO3)C(c2ccccc2)NC(=O)N1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H18N2O5/c1-12-17(18(22-20(24)21-12)14-5-3-2-4-6-14)19(23)25-10-13-7-8-15-16(9-13)27-11-26-15/h2-9,18H,10-11H2,1H3,(H2,21,22,24)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ZCODHUILFDVDJC-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
Protein ID: PT02997, Isocitrate dehydrogenase [NADP] cytoplasmic
Protein ID: PT06392, Sodium/iodide cotransporter