General Information of the Compound
| Compound ID |
CP0412331
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8791272, 18.1
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H18Cl2N4O3
|
||||||||||||||||||
| Molecular Weight |
433.295
|
||||||||||||||||||
| Canonical SMILES |
Cc1nn(Cc2ccc(NC(=O)c3ccc(Cl)c(Cl)c3)cn2)c(C)c1CC(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H18Cl2N4O3/c1-11-16(8-19(27)28)12(2)26(25-11)10-15-5-4-14(9-23-15)24-20(29)13-3-6-17(21)18(22)7-13/h3-7,9H,8,10H2,1-2H3,(H,24,29)(H,27,28)
Show/Hide
|
||||||||||||||||||
| InChIKey |
LQAOAEVIQLIVEK-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