Binder Information
| Binder General Information | Top | |||
|---|---|---|---|---|
| Binder ID |
BLXQ31
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| Binder Name |
Unii-Z82X63Q1Z5
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| Synonyms |
Z82X63Q1Z5; CHEMBL3616894; Linagliptin metabolite m515(1)
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| Binder Type |
Small molecular drug
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| Structure |
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Download2D MOL |
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| Formula |
C27H30N8O3
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| Canonical SMILES |
CC#CCN1C2=C(N=C1N3CCC[C@H](C3)NC(=O)C)N(C(=O)N(C2=O)CC4=NC5=CC=CC=C5C(=N4)C)C
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| InChI |
1S/C27H30N8O3/c1-5-6-14-34-23-24(31-26(34)33-13-9-10-19(15-33)29-18(3)36)32(4)27(38)35(25(23)37)16-22-28-17(2)20-11-7-8-12-21(20)30-22/h7-8,11-12,19H,9-10,13-16H2,1-4H3,(H,29,36)/t19-/m1/s1
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| InChIKey |
KWOITPIVEAFNPU-LJQANCHMSA-N
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| PubChem Compound ID | ||||
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