![spacer](http://www.ebi.ac.uk/inc/images/spacer.gif) |
PDBeChem : Molecule Descriptors
Molecule : WRY
Encodings of molecule in descriptor strings
Record | Name | Program | Version | Name |
1 |
InChI
|
InChI |
1.03 |
InChI=1S/C12H11FN2O/c1-7-10(12(16)14-2)5-8-3-4-9(13)6-11(8)15-7/h3-6H,1-2H3,(H,14,16) |
2 |
InChIKey
|
InChI |
1.03 |
XTBYDIXZNAOPDG-UHFFFAOYSA-N |
3 |
SMILES
|
ACDLabs |
12.01 |
N(C)C(=O)c2cc1ccc(F)cc1nc2C |
4 |
SMILES
|
CACTVS |
3.385 |
CNC(=O)c1cc2ccc(F)cc2nc1C |
5 |
SMILES
|
OpenEye OEToolkits |
2.0.7 |
Cc1c(cc2ccc(cc2n1)F)C(=O)NC |
6 |
Canonical SMILES
|
CACTVS |
3.385 |
CNC(=O)c1cc2ccc(F)cc2nc1C |
7 |
Canonical SMILES
|
OpenEye OEToolkits |
2.0.7 |
Cc1c(cc2ccc(cc2n1)F)C(=O)NC |
|