General Information of the Compound
| Compound ID |
CP0547126
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
N-[3-[(4S)-2-amino-4,5-dimethyl-1,3-oxazin-4-yl]-4-fluorophenyl]-5-cyanopyridine-2-carboxamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C19H16FN5O2
|
||||||||||||||||||
| Molecular Weight |
365.368
|
||||||||||||||||||
| Canonical SMILES |
CC1=COC(N)=N[C@]1(C)c1cc(NC(=O)c2ccc(cn2)C#N)ccc1F
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C19H16FN5O2/c1-11-10-27-18(22)25-19(11,2)14-7-13(4-5-15(14)20)24-17(26)16-6-3-12(8-21)9-23-16/h3-7,9-10H,1-2H3,(H2,22,25)(H,24,26)/t19-/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
FCIHJZOGSZYLII-IBGZPJMESA-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