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PDBeChem : Molecule Descriptors
Molecule : GIZ
Encodings of molecule in descriptor strings
Record | Name | Program | Version | Name |
1 |
InChI
|
InChI |
1.06 |
InChI=1S/C24H37N5OS/c1-5-20-22(18(4)30)17(3)25-23(20)21-16-31-24(26-21)29-13-11-28(12-14-29)15-19-7-9-27(6-2)10-8-19/h16,19,25H,5-15H2,1-4H3 |
2 |
InChIKey
|
InChI |
1.06 |
USUFEOMHJBVZED-UHFFFAOYSA-N |
3 |
SMILES
|
CACTVS |
3.385 |
CCN1CCC(CC1)CN2CCN(CC2)c3scc(n3)c4[nH]c(C)c(C(C)=O)c4CC |
4 |
SMILES
|
OpenEye OEToolkits |
2.0.7 |
CCc1c(c([nH]c1c2csc(n2)N3CCN(CC3)CC4CCN(CC4)CC)C)C(=O)C |
5 |
Canonical SMILES
|
CACTVS |
3.385 |
CCN1CCC(CC1)CN2CCN(CC2)c3scc(n3)c4[nH]c(C)c(C(C)=O)c4CC |
6 |
Canonical SMILES
|
OpenEye OEToolkits |
2.0.7 |
CCc1c(c([nH]c1c2csc(n2)N3CCN(CC3)CC4CCN(CC4)CC)C)C(=O)C |
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