General Information of the Compound
| Compound ID |
CP0506725
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9181182, 49
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H23ClN4O4
|
||||||||||||||||||
| Molecular Weight |
442.903
|
||||||||||||||||||
| Canonical SMILES |
CCOc1ccc(cc1Cl)-c1nc(no1)-c1cccc2n(CC(N)(CO)CO)ccc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H23ClN4O4/c1-2-30-19-7-6-14(10-17(19)23)21-25-20(26-31-21)16-4-3-5-18-15(16)8-9-27(18)11-22(24,12-28)13-29/h3-10,28-29H,2,11-13,24H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
OQESLBLBBINGGW-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