General Information of the Compound
| Compound ID |
CP0110899
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(E)-N-(4-amino-2-sec-butylquinolin-6-yl)-3-(4-(trifluoromethyl)phenyl)acrylamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C23H22F3N3O
|
||||||||||||||||||
| Molecular Weight |
413.443
|
||||||||||||||||||
| Canonical SMILES |
CCC(C)c1cc(N)c2cc(NC(=O)\C=C\c3ccc(cc3)C(F)(F)F)ccc2n1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H22F3N3O/c1-3-14(2)21-13-19(27)18-12-17(9-10-20(18)29-21)28-22(30)11-6-15-4-7-16(8-5-15)23(24,25)26/h4-14H,3H2,1-2H3,(H2,27,29)(H,28,30)/b11-6+
Show/Hide
|
||||||||||||||||||
| InChIKey |
BLQVRMCVQJLLPJ-IZZDOVSWSA-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