Binder Information
| Binder General Information | Top | |||
|---|---|---|---|---|
| Binder ID |
B6U5FD
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| Binder Name |
1-(4-Methylquinazoline-2-ylmethyl)-3-methyl-7-(2-butynyl)-8-[(5S)-3-oxo-5-(hydroxymethyl)piperazino]xanthine
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| Synonyms |
CHEMBL3616896
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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 |
C25H26N8O4
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| Canonical SMILES |
CC#CCN1C2=C(N=C1N3C[C@H](NC(=O)C3)CO)N(C(=O)N(C2=O)CC4=NC5=CC=CC=C5C(=N4)C)C
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| InChI |
1S/C25H26N8O4/c1-4-5-10-32-21-22(29-24(32)31-11-16(14-34)27-20(35)13-31)30(3)25(37)33(23(21)36)12-19-26-15(2)17-8-6-7-9-18(17)28-19/h6-9,16,34H,10-14H2,1-3H3,(H,27,35)/t16-/m0/s1
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| InChIKey |
QQSHPPSZQGKKKZ-INIZCTEOSA-N
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| PubChem Compound ID | ||||
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