Binder Information
Binder General Information | Top | |||
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Binder ID |
BXD3S1
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Binder Name |
(S)-2-[(E)-3-(3-Bromo-phenyl)-acryloyl]-7-(3-chloro-propoxy)-6,8-diiodo-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid
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Synonyms |
CHEMBL422713; BDBM50087178
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Binder Type |
Small molecular drug
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Structure |
Download2D MOL |
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Formula |
C22H19BrClI2NO4
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Canonical SMILES |
C1[C@H](N(CC2=C(C(=C(C=C21)I)OCCCCl)I)C(=O)/C=C/C3=CC(=CC=C3)Br)C(=O)O
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InChI |
1S/C22H19BrClI2NO4/c23-15-4-1-3-13(9-15)5-6-19(28)27-12-16-14(11-18(27)22(29)30)10-17(25)21(20(16)26)31-8-2-7-24/h1,3-6,9-10,18H,2,7-8,11-12H2,(H,29,30)/b6-5+/t18-/m0/s1
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InChIKey |
QGTKWPYGPGRZSP-QWNKOJSDSA-N
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PubChem Compound ID |
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