General Information of the Compound
| Compound ID |
CP0659845
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-ethyl-4-(5-(3-nitrobenzylamino)-7-(trifluoromethyl)quinolin-3-yl)piperazine-1-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H25F3N6O3
|
||||||||||||||||||
| Molecular Weight |
502.497
|
||||||||||||||||||
| Canonical SMILES |
CCNC(=O)N1CCN(c2cnc3cc(C(F)(F)F)cc(NCc4cccc([N+](=O)[O-])c4)c3c2)CC1
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H25F3N6O3/c1-2-28-23(34)32-8-6-31(7-9-32)19-13-20-21(11-17(24(25,26)27)12-22(20)30-15-19)29-14-16-4-3-5-18(10-16)33(35)36/h3-5,10-13,15,29H,2,6-9,14H2,1H3,(H,28,34)
Show/Hide
|
||||||||||||||||||
| InChIKey |
OZXPSVBSQRGYFB-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 | |||||||||||||||||||
| 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