General Information of the Compound
| Compound ID |
CP0449968
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9181182, 7
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H23ClN4O4
|
||||||||||||||||||
| Molecular Weight |
430.892
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(cc1Cl)-c1nc(no1)-c1ccc2N(CC(N)(CO)CO)CCc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H23ClN4O4/c1-29-18-5-3-15(9-16(18)22)20-24-19(25-30-20)14-2-4-17-13(8-14)6-7-26(17)10-21(23,11-27)12-28/h2-5,8-9,27-28H,6-7,10-12,23H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
OMDMUSJBJIUGHX-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