General Information of the Compound
| Compound ID |
CP0537692
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL5209369
Show/Hide
|
||||||||||||||||||
| Formula |
C22H24FN3O2
|
||||||||||||||||||
| Molecular Weight |
381.451
|
||||||||||||||||||
| Canonical SMILES |
COc1cc(F)ccc1-c1ccnc2[nH]c(cc12)[C@H]1CC[C@@H](CC1)NC(C)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H24FN3O2/c1-13(27)25-16-6-3-14(4-7-16)20-12-19-17(9-10-24-22(19)26-20)18-8-5-15(23)11-21(18)28-2/h5,8-12,14,16H,3-4,6-7H2,1-2H3,(H,24,26)(H,25,27)/t14-,16-
Show/Hide
|
||||||||||||||||||
| InChIKey |
SJZYXKHYMQBGPC-KOMQPUFPSA-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