General Information of the Compound
| Compound ID |
CP0450286
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8969325, 323
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H18ClF2N3O4
|
||||||||||||||||||
| Molecular Weight |
437.83
|
||||||||||||||||||
| Canonical SMILES |
FCC1(CF)C[C@@H](NC(=O)Nc2cccc3NC(=O)COc23)c2ccc(Cl)cc2O1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H18ClF2N3O4/c21-11-4-5-12-15(7-20(9-22,10-23)30-16(12)6-11)26-19(28)25-14-3-1-2-13-18(14)29-8-17(27)24-13/h1-6,15H,7-10H2,(H,24,27)(H2,25,26,28)/t15-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
LQKZENZHXLQYCB-OAHLLOKOSA-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