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PDBeChem : Molecule Descriptors
Molecule : LFG
Encodings of molecule in descriptor strings
Record | Name | Program | Version | Name |
1 |
InChI
|
InChI |
1.03 |
InChI=1S/C12H19N3O/c1-2-4-6-10(5-3-1)13-12-15-14-11(16-12)9-7-8-9/h9-10H,1-8H2,(H,13,15) |
2 |
InChIKey
|
InChI |
1.03 |
JVKMRHJNTQEBIV-UHFFFAOYSA-N |
3 |
SMILES
|
ACDLabs |
12.01 |
n2nc(NC1CCCCCC1)oc2C3CC3 |
4 |
SMILES
|
CACTVS |
3.385 |
C1CCCC(CC1)Nc2oc(nn2)C3CC3 |
5 |
SMILES
|
OpenEye OEToolkits |
2.0.6 |
C1CCCC(CC1)Nc2nnc(o2)C3CC3 |
6 |
Canonical SMILES
|
CACTVS |
3.385 |
C1CCCC(CC1)Nc2oc(nn2)C3CC3 |
7 |
Canonical SMILES
|
OpenEye OEToolkits |
2.0.6 |
C1CCCC(CC1)Nc2nnc(o2)C3CC3 |
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