General Information of the Compound
| Compound ID |
CP0578534
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8653125, Ia-4
Show/Hide
|
||||||||||||||||||
| Formula |
C22H21ClFN5O2
|
||||||||||||||||||
| Molecular Weight |
441.894
|
||||||||||||||||||
| Canonical SMILES |
Fc1ccccc1-n1ccc(NC(=O)[C@@H]2CC[C@@H](CC2)NC(=O)c2cccc(Cl)n2)n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H21ClFN5O2/c23-19-7-3-5-17(26-19)22(31)25-15-10-8-14(9-11-15)21(30)27-20-12-13-29(28-20)18-6-2-1-4-16(18)24/h1-7,12-15H,8-11H2,(H,25,31)(H,27,28,30)/t14-,15+
Show/Hide
|
||||||||||||||||||
| InChIKey |
KLEYVDWXPKPAEX-GASCZTMLSA-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 | |||||||||||||||||||
| 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