General Information of the Compound
| Compound ID |
CP0957643
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US8614213, 19.74
Show/Hide
|
||||||||||||||||||
| Formula |
C22H23ClF3N5O
|
||||||||||||||||||
| Molecular Weight |
465.907
|
||||||||||||||||||
| Canonical SMILES |
Cc1ccc2c(NC[C@H]3CC[C@H](NC(=O)c4cc(C(F)(F)F)ccc4Cl)CC3)n[nH]c2n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H23ClF3N5O/c1-12-2-8-16-19(30-31-20(16)28-12)27-11-13-3-6-15(7-4-13)29-21(32)17-10-14(22(24,25)26)5-9-18(17)23/h2,5,8-10,13,15H,3-4,6-7,11H2,1H3,(H,29,32)(H2,27,28,30,31)/t13-,15-
Show/Hide
|
||||||||||||||||||
| InChIKey |
FGRKPEZOTOXFTR-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 | |||||||||||||||||||
| 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