General Information of the Compound
| Compound ID |
CP0556072
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8614213, 19.26
Show/Hide
|
||||||||||||||||||
| Formula |
C21H22ClF4N3O
|
||||||||||||||||||
| Molecular Weight |
443.872
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(NC[C@H]2CC[C@@H](CC2)NC(=O)c2cc(ccc2Cl)C(F)(F)F)ncc1F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H22ClF4N3O/c1-12-8-19(28-11-18(12)23)27-10-13-2-5-15(6-3-13)29-20(30)16-9-14(21(24,25)26)4-7-17(16)22/h4,7-9,11,13,15H,2-3,5-6,10H2,1H3,(H,27,28)(H,29,30)/t13-,15-
Show/Hide
|
||||||||||||||||||
| InChIKey |
GAPJLNVFWNJPPG-CTYIDZIISA-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