Binder Information
| Binder General Information | Top | |||
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| Binder ID |
BIG2T8
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| Binder Name |
2-[(3R)-3-Acetamido-4-oxo-2,3-dihydro-1,5-benzothiazepin-5-yl]-N-[(4-carbamimidoylphenyl)methyl]acetamide;2,2,2-trifluoroacetic acid
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| Synonyms |
CHEMBL561613
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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 |
C23H24F3N5O5S
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| Canonical SMILES |
CC(=O)N[C@H]1CSC2=CC=CC=C2N(C1=O)CC(=O)NCC3=CC=C(C=C3)C(=N)N.C(=O)(C(F)(F)F)O
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| InChI |
1S/C21H23N5O3S.C2HF3O2/c1-13(27)25-16-12-30-18-5-3-2-4-17(18)26(21(16)29)11-19(28)24-10-14-6-8-15(9-7-14)20(22)23;3-2(4,5)1(6)7/h2-9,16H,10-12H2,1H3,(H3,22,23)(H,24,28)(H,25,27);(H,6,7)/t16-;/m0./s1
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| InChIKey |
PKBQVEXWPHFKQK-NTISSMGPSA-N
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| PubChem Compound ID | ||||
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