General Information of the Compound
| Compound ID |
CP0536165
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(1S,3S)-N1-(3-(trifluoromethoxy)benzyl)-N3-(7-methoxy-4-methylquinolin-2-yl)cyclohexane-1,3-diamine
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H28F3N3O2
|
||||||||||||||||||
| Molecular Weight |
459.512
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc2c(C)cc(N[C@H]3CCC[C@@H](C3)NCc3cccc(OC(F)(F)F)c3)nc2c1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H28F3N3O2/c1-16-11-24(31-23-14-20(32-2)9-10-22(16)23)30-19-7-4-6-18(13-19)29-15-17-5-3-8-21(12-17)33-25(26,27)28/h3,5,8-12,14,18-19,29H,4,6-7,13,15H2,1-2H3,(H,30,31)/t18-,19-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
RIMABVFMBXYCGG-OALUTQOASA-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