General Information of the Compound
| Compound ID |
CP0487446
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
8-[(2,6-dichloro-3-pyrrolidin-1-ylsulfonylphenyl)methoxy]-2-methyl-4-(trifluoromethyl)quinoline
Show/Hide
|
||||||||||||||||||
| Formula |
C22H19Cl2F3N2O3S
|
||||||||||||||||||
| Molecular Weight |
519.372
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(c2cccc(OCc3c(Cl)ccc(c3Cl)S(=O)(=O)N3CCCC3)c2n1)C(F)(F)F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H19Cl2F3N2O3S/c1-13-11-16(22(25,26)27)14-5-4-6-18(21(14)28-13)32-12-15-17(23)7-8-19(20(15)24)33(30,31)29-9-2-3-10-29/h4-8,11H,2-3,9-10,12H2,1H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
GAUJNVOGXRINCZ-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