Ligand Information
| Ligand General Information | Top | |||
|---|---|---|---|---|
| Ligand ID |
LLO9D0
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| Ligand Name |
AIC499 (bound)
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| Synonyms |
AIC499 (bound)
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| Structure |
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Download2D MOL
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| Formula |
C25H34N8O10S2
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| Canonical SMILES |
CC(C)(C(C=O)NC(=O)C(=NOC(COC1=CC=C(C=C1)C(=NC2CCCNC2)N)C(=O)O)C3=CSC(=N3)N)NOS(=O)(=O)O
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| InChI |
1S/C25H34N8O10S2/c1-25(2,33-43-45(38,39)40)19(11-34)31-22(35)20(17-13-44-24(27)30-17)32-42-18(23(36)37)12-41-16-7-5-14(6-8-16)21(26)29-15-4-3-9-28-10-15/h5-8,11,13,15,18-19,28,33H,3-4,9-10,12H2,1-2H3,(H2,26,29)(H2,27,30)(H,31,35)(H,36,37)(H,38,39,40)/b32-20-/t15-,18+,19-/m1/s1
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| InChIKey |
NFNVPYWCKFTXAX-OOLKDPNPSA-N
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| PubChem Compound ID | ||||
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