Binder Information
| Binder General Information | Top | |||
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| Binder ID |
B5RU2E
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| Binder Name |
2-Ketobenzothiazole 72
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| Synonyms |
CHEMBL3084981; BDBM14134; The absolute stereochemistry of the carbon thatbears the cyclohexyl ring is unknown
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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 |
C31H39N5O3S
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| Canonical SMILES |
CN[C@H](CC1=CC=CC=C1)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CC(=O)C3=NC4=CC=CC=C4S3)C5CCC(CC5)N
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| InChI |
1S/C31H39N5O3S/c1-33-25(18-20-8-3-2-4-9-20)31(39)36-17-7-11-26(36)29(38)34-24(21-13-15-22(32)16-14-21)19-27(37)30-35-23-10-5-6-12-28(23)40-30/h2-6,8-10,12,21-22,24-26,33H,7,11,13-19,32H2,1H3,(H,34,38)/t21?,22?,24-,25+,26-/m0/s1
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| InChIKey |
ZDJAWPTWLQRSCD-DBYXIGLLSA-N
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| PubChem Compound ID | ||||
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