General Information of the Compound
| Compound ID |
CP0276476
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
2-[(5-cyano-1,2,3,4-tetrahydronaphthalen-1-yl)methyl]-3,3,3-trifluoro-2-hydroxy-N-(4-methyl-1-oxo-2,3-benzoxazin-6-yl)propanamide
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C24H20F3N3O4
|
||||||||||||||||||
| Molecular Weight |
471.435
|
||||||||||||||||||
| Canonical SMILES |
Cc1noc(=O)c2ccc(NC(=O)C(O)(CC3CCCc4c(cccc34)C#N)C(F)(F)F)cc12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C24H20F3N3O4/c1-13-20-10-16(8-9-19(20)21(31)34-30-13)29-22(32)23(33,24(25,26)27)11-14-4-2-7-18-15(12-28)5-3-6-17(14)18/h3,5-6,8-10,14,33H,2,4,7,11H2,1H3,(H,29,32)
Show/Hide
|
||||||||||||||||||
| InChIKey |
ASBUXVKPNDZGBC-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