General Information of the Compound
| Compound ID |
CP0574821
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
US9206164, 82
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H22F2N4O2
|
||||||||||||||||||
| Molecular Weight |
424.451
|
||||||||||||||||||
| Canonical SMILES |
CCc1nn(Cc2ccc(cc2F)-c2nc3cc(F)ccc3[nH]2)c(CC)c1CC(O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H22F2N4O2/c1-3-18-16(11-22(30)31)21(4-2)29(28-18)12-14-6-5-13(9-17(14)25)23-26-19-8-7-15(24)10-20(19)27-23/h5-10H,3-4,11-12H2,1-2H3,(H,26,27)(H,30,31)
Show/Hide
|
||||||||||||||||||
| InChIKey |
BIBYXJSLJHQZBC-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