General Information of the Compound
| Compound ID |
CP0443318
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
CHEMBL3126041
Show/Hide
|
||||||||||||||||||
| Formula |
C23H25F2N3O2
|
||||||||||||||||||
| Molecular Weight |
413.468
|
||||||||||||||||||
| Canonical SMILES |
Fc1cc(F)cc(c1)-c1ccc(NC(=O)[C@@H]2CC[C@@H](CC2)N2CCCCC2=O)nc1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H25F2N3O2/c24-18-11-17(12-19(25)13-18)16-6-9-21(26-14-16)27-23(30)15-4-7-20(8-5-15)28-10-2-1-3-22(28)29/h6,9,11-15,20H,1-5,7-8,10H2,(H,26,27,30)/t15-,20+
Show/Hide
|
||||||||||||||||||
| InChIKey |
CUSVWNVJYBQYIM-GSXCWMCISA-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