Ligand Information
| Ligand General Information | Top | |||
|---|---|---|---|---|
| Ligand ID |
LBW1D4
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| Ligand Name |
(8R)-13-ethyl-8-(4-methylphenyl)-5-[[1-[(4-nitrophenyl)methyl]piperidin-4-yl]methyl]-2,5,11,13-tetrazatricyclo[7.4.0.03,7]trideca-1(9),3(7)-diene-6,10,12-trione
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| Structure |
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Download2D MOL |
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| Formula |
C31H34N6O5
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| Canonical SMILES |
CCN1C2=C(C(C3=C(N2)CN(C3=O)CC4CCN(CC4)CC5=CC=C(C=C5)[N+](=O)[O-])C6=CC=C(C=C6)C)C(=O)NC1=O
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| InChI |
1S/C31H34N6O5/c1-3-36-28-27(29(38)33-31(36)40)25(22-8-4-19(2)5-9-22)26-24(32-28)18-35(30(26)39)17-21-12-14-34(15-13-21)16-20-6-10-23(11-7-20)37(41)42/h4-11,21,25,32H,3,12-18H2,1-2H3,(H,33,38,40)/t25-/m1/s1
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| InChIKey |
NSZRAHFWJGEQDI-RUZDIDTESA-N
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| PubChem Compound ID | ||||
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