General Information of the Compound
| Compound ID |
CP0484660
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(3R)-1-[2,4-dichloro-3-[[2-methyl-4-(trifluoromethyl)quinolin-8-yl]oxymethyl]phenyl]sulfonyl-N,N-dimethylpyrrolidin-3-amine
Show/Hide
|
||||||||||||||||||
| Formula |
C24H24Cl2F3N3O3S
|
||||||||||||||||||
| Molecular Weight |
562.441
|
||||||||||||||||||
| Canonical SMILES |
CN(C)[C@@H]1CCN(C1)S(=O)(=O)c1ccc(Cl)c(COc2cccc3c(cc(C)nc23)C(F)(F)F)c1Cl
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H24Cl2F3N3O3S/c1-14-11-18(24(27,28)29)16-5-4-6-20(23(16)30-14)35-13-17-19(25)7-8-21(22(17)26)36(33,34)32-10-9-15(12-32)31(2)3/h4-8,11,15H,9-10,12-13H2,1-3H3/t15-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
DARIJGYPHRIDKV-OAHLLOKOSA-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