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PDBeChem : Molecule Descriptors
Molecule : 6XF
Encodings of molecule in descriptor strings
Record | Name | Program | Version | Name |
1 |
InChI
|
InChI |
1.03 |
InChI=1S/C21H22N4O5/c1-14(2)24(20(26)12-15-4-8-17(9-5-15)25(27)28)13-19-22-21(23-30-19)16-6-10-18(29-3)11-7-16/h4-11,14H,12-13H2,1-3H3 |
2 |
InChIKey
|
InChI |
1.03 |
QZJNXTJRNWXSBP-UHFFFAOYSA-N |
3 |
SMILES
|
CACTVS |
3.385 |
COc1ccc(cc1)c2noc(CN(C(C)C)C(=O)Cc3ccc(cc3)[N](=O)=O)n2 |
4 |
SMILES
|
OpenEye OEToolkits |
2.0.5 |
CC(C)N(Cc1nc(no1)c2ccc(cc2)OC)C(=O)Cc3ccc(cc3)N(=O)=O |
5 |
Canonical SMILES
|
CACTVS |
3.385 |
COc1ccc(cc1)c2noc(CN(C(C)C)C(=O)Cc3ccc(cc3)[N](=O)=O)n2 |
6 |
Canonical SMILES
|
OpenEye OEToolkits |
2.0.5 |
CC(C)N(Cc1nc(no1)c2ccc(cc2)OC)C(=O)Cc3ccc(cc3)N(=O)=O |
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