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PDBeChem : Molecule Descriptors
Molecule : LFP
Encodings of molecule in descriptor strings
Record | Name | Program | Version | Name |
1 |
InChI
|
InChI |
1.03 |
InChI=1S/C12H11ClFN3O/c1-17-11(13)10(7-16-17)12(18)15-6-8-2-4-9(14)5-3-8/h2-5,7H,6H2,1H3,(H,15,18) |
2 |
InChIKey
|
InChI |
1.03 |
HYVAEYATDXVPMU-UHFFFAOYSA-N |
3 |
SMILES
|
ACDLabs |
12.01 |
n2(c(c(C(NCc1ccc(cc1)F)=O)cn2)Cl)C |
4 |
SMILES
|
CACTVS |
3.385 |
Cn1ncc(C(=O)NCc2ccc(F)cc2)c1Cl |
5 |
SMILES
|
OpenEye OEToolkits |
2.0.6 |
Cn1c(c(cn1)C(=O)NCc2ccc(cc2)F)Cl |
6 |
Canonical SMILES
|
CACTVS |
3.385 |
Cn1ncc(C(=O)NCc2ccc(F)cc2)c1Cl |
7 |
Canonical SMILES
|
OpenEye OEToolkits |
2.0.6 |
Cn1c(c(cn1)C(=O)NCc2ccc(cc2)F)Cl |
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