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PDBeChem : Molecule Descriptors
Molecule : FBX
Encodings of molecule in descriptor strings
Record | Name | Program | Version | Name |
1 |
InChI
|
InChI |
1.03 |
InChI=1S/C16H18FN3O2/c1-2-22-16(21)20-15-8-7-13(9-14(15)18)19-10-11-3-5-12(17)6-4-11/h3-9,19H,2,10,18H2,1H3,(H,20,21) |
2 |
InChIKey
|
InChI |
1.03 |
PCOBBVZJEWWZFR-UHFFFAOYSA-N |
3 |
SMILES
|
CACTVS |
3.385 |
CCOC(=O)Nc1ccc(NCc2ccc(F)cc2)cc1N |
4 |
SMILES
|
OpenEye OEToolkits |
2.0.7 |
CCOC(=O)Nc1ccc(cc1N)NCc2ccc(cc2)F |
5 |
Canonical SMILES
|
CACTVS |
3.385 |
CCOC(=O)Nc1ccc(NCc2ccc(F)cc2)cc1N |
6 |
Canonical SMILES
|
OpenEye OEToolkits |
2.0.7 |
CCOC(=O)Nc1ccc(cc1N)NCc2ccc(cc2)F |
|