General Information of the Compound
| Compound ID |
CP0533907
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
1-[[2-(dipropylamino)-6-(trifluoromethyl)pyridin-3-yl]methyl]-3-(2-oxo-1H-quinolin-5-yl)urea
Show/Hide
|
||||||||||||||||||
| Formula |
C23H26F3N5O2
|
||||||||||||||||||
| Molecular Weight |
461.488
|
||||||||||||||||||
| Canonical SMILES |
CCCN(CCC)c1nc(ccc1CNC(=O)Nc1cccc2[nH]c(=O)ccc12)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C23H26F3N5O2/c1-3-12-31(13-4-2)21-15(8-10-19(30-21)23(24,25)26)14-27-22(33)29-18-7-5-6-17-16(18)9-11-20(32)28-17/h5-11H,3-4,12-14H2,1-2H3,(H,28,32)(H2,27,29,33)
Show/Hide
|
||||||||||||||||||
| InChIKey |
JRSUJDROCJWEMD-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 | |||||||||||||||||||
| 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