General Information of the Compound
| Compound ID |
CP0821788
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
SID24800864
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H18N4O3
|
||||||||||||||||||
| Molecular Weight |
350.378
|
||||||||||||||||||
| Canonical SMILES |
COc1cccc(/C=N/Nc2cc(C)nc(-c3ccccc3O)n2)c1O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H18N4O3/c1-12-10-17(22-19(21-12)14-7-3-4-8-15(14)24)23-20-11-13-6-5-9-16(26-2)18(13)25/h3-11,24-25H,1-2H3,(H,21,22,23)/b20-11+
Show/Hide
|
||||||||||||||||||
| InChIKey |
NVWKNYCCCLJTGO-RGVLZGJSSA-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