General Information of the Compound
| Compound ID |
CP0267201
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[3-[(2S,5R)-6-amino-2-(fluoromethyl)-5-methyl-5-methylsulfonyl-3,4-dihydropyridin-2-yl]-4-fluorophenyl]-[1,3]dioxolo[4,5-c]pyridine-6-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C21H22F2N4O5S
|
||||||||||||||||||
| Molecular Weight |
480.493
|
||||||||||||||||||
| Canonical SMILES |
C[C@]1(CC[C@](CF)(N=C1N)c1cc(NC(=O)c2cc3OCOc3cn2)ccc1F)S(C)(=O)=O
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C21H22F2N4O5S/c1-20(33(2,29)30)5-6-21(10-22,27-19(20)24)13-7-12(3-4-14(13)23)26-18(28)15-8-16-17(9-25-15)32-11-31-16/h3-4,7-9H,5-6,10-11H2,1-2H3,(H2,24,27)(H,26,28)/t20-,21-/m1/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
IENHUNDDRIGOLX-NHCUHLMSSA-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 | |||||||||||||||||||
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