General Information of the Compound
| Compound ID |
CP0517801
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
4-[4-[1-[(3,4-dimethoxyphenyl)methyl]-6-oxopyridin-3-yl]-6-(trifluoromethyl)pyrimidin-2-yl]sulfonyl-N,N-dimethylbutanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C25H27F3N4O6S
|
||||||||||||||||||
| Molecular Weight |
568.574
|
||||||||||||||||||
| Canonical SMILES |
COc1ccc(Cn2cc(ccc2=O)-c2cc(nc(n2)S(=O)(=O)CCCC(=O)N(C)C)C(F)(F)F)cc1OC
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C25H27F3N4O6S/c1-31(2)22(33)6-5-11-39(35,36)24-29-18(13-21(30-24)25(26,27)28)17-8-10-23(34)32(15-17)14-16-7-9-19(37-3)20(12-16)38-4/h7-10,12-13,15H,5-6,11,14H2,1-4H3
Show/Hide
|
||||||||||||||||||
| InChIKey |
QLBBOUVBVCQRQY-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