Binder Information
| Binder General Information | Top | |||
|---|---|---|---|---|
| Binder ID |
BD28VH
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| Binder Name |
Simocyclinone D8
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| Synonyms |
CHEMBL1235969; BDBM50395674
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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 |
C46H42ClNO18
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| Canonical SMILES |
C[C@@H]1[C@H]([C@@H](C[C@@H](O1)C2=C(C3=C(C=C2)C(=O)[C@]45[C@]([C@@H]3O)(O4)[C@H](C[C@]6([C@@]5(C(=O)C=C(C6)C)O)O)O)O)OC(=O)/C=C/C=C/C=C/C=C/C(=O)NC7=C(C8=C(C(=C(C=C8)O)Cl)OC7=O)O)OC(=O)C
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| InChI |
1S/C46H42ClNO18/c1-20-16-29(51)45(61)43(60,18-20)19-30(52)44-41(58)33-24(40(57)46(44,45)66-44)13-12-23(36(33)55)27-17-28(38(21(2)62-27)63-22(3)49)64-32(54)11-9-7-5-4-6-8-10-31(53)48-35-37(56)25-14-15-26(50)34(47)39(25)65-42(35)59/h4-16,21,27-28,30,38,41,50,52,55-56,58,60-61H,17-19H2,1-3H3,(H,48,53)/b6-4+,7-5+,10-8+,11-9+/t21-,27-,28-,30+,38-,41-,43-,44+,45-,46-/m1/s1
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| InChIKey |
PLEGMCYXNQPJNV-JIEXBSPMSA-N
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| PubChem Compound ID | ||||
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