General Information of the Compound
| Compound ID |
CP0359952
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[3-[(1R,4R,5S)-2-amino-4-methyl-6,8-dioxa-3-azabicyclo[3.2.1]oct-2-en-4-yl]-4-fluorophenyl]-5-cyano-3-methylpyridine-2-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C20H18FN5O3
|
||||||||||||||||||
| Molecular Weight |
395.394
|
||||||||||||||||||
| Canonical SMILES |
Cc1cc(cnc1C(=O)Nc1ccc(F)c(c1)[C@@]1(C)N=C(N)[C@@H]2CO[C@H]1O2)C#N
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C20H18FN5O3/c1-10-5-11(7-22)8-24-16(10)18(27)25-12-3-4-14(21)13(6-12)20(2)19-28-9-15(29-19)17(23)26-20/h3-6,8,15,19H,9H2,1-2H3,(H2,23,26)(H,25,27)/t15-,19-,20+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
IWQYCOQYPQFWSO-RYGJVYDSSA-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