General Information of the Compound
| Compound ID |
CP0556686
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8772323, 196
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H21N3O2
|
||||||||||||||||||
| Molecular Weight |
347.418
|
||||||||||||||||||
| Canonical SMILES |
CCC[C@@H]1[C@@H](C)C(=NNC1=O)c1ccc2nc(oc2c1)-c1ccccc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H21N3O2/c1-3-7-16-13(2)19(23-24-20(16)25)15-10-11-17-18(12-15)26-21(22-17)14-8-5-4-6-9-14/h4-6,8-13,16H,3,7H2,1-2H3,(H,24,25)/t13-,16-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
YZYKPCGSVJQAAW-CZUORRHYSA-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