Binder Information
| Binder General Information | Top | |||
|---|---|---|---|---|
| Binder ID |
BC4O0S
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| Binder Name |
Bedaquiline
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| Synonyms |
TMC207; Sirturo; TMC-207; R207910; TMC 207; R 207910; UNII-78846I289Y; R-207910; 843663-66-1 (free base); MMV689758; 78846I289Y; AIDS-222089; Bedaquiline [USAN:INN]; bedaquilina; bedaquilinum; HSDB 8217; AIDS 222089; Tube401; Bedaquiline (USAN/INN); AR)-Bedaquiline; Bedaquiline (TMC-207); C32H31BrN2O2; SCHEMBL295482; CHEMBL376488; GTPL11171; DTXSID80903989; AOB87357; EX-A4133; ZINC4655029; BDBM50063995; s5623; AKOS022186476; ACN-040787; CCG-270030; DB08903; compound 1a [PMID: 17496888]; KS-0000002K; NCGC00348215-01; NCGC00348215-03; NCGC00348215-04; AC-28385; HY-14881; A12327; D09872; J-500265; Q1257318; R403323; TMC207; R207910
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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 |
C32H31BrN2O2
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| Canonical SMILES |
CN(C)CC[C@@](C1=CC=CC2=CC=CC=C21)([C@H](C3=CC=CC=C3)C4=C(N=C5C=CC(=CC5=C4)Br)OC)O
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| InChI |
1S/C32H31BrN2O2/c1-35(2)19-18-32(36,28-15-9-13-22-10-7-8-14-26(22)28)30(23-11-5-4-6-12-23)27-21-24-20-25(33)16-17-29(24)34-31(27)37-3/h4-17,20-21,30,36H,18-19H2,1-3H3/t30-,32-/m1/s1
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| InChIKey |
QUIJNHUBAXPXFS-XLJNKUFUSA-N
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| PubChem Compound ID | ||||
| ChEBI ID |
CHEBI:72292
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