Binder Information
| Binder General Information | Top | |||
|---|---|---|---|---|
| Binder ID |
BMJE80
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| Binder Name |
Betulinic acid 3-O-crotonate
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| Synonyms |
CHEMBL448637; SCHEMBL7377372; BDBM50292435
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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 |
C34H52O4
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| Canonical SMILES |
C/C=C/C(=O)O[C@H]1CC[C@@]2([C@H]3CC[C@@H]4[C@H]5[C@@H](CC[C@@]5(CC[C@]4([C@@]3(CC[C@H]2C1(C)C)C)C)C(=O)O)C(=C)C)C
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| InChI |
1S/C34H52O4/c1-9-10-27(35)38-26-15-16-31(6)24(30(26,4)5)14-17-33(8)25(31)12-11-23-28-22(21(2)3)13-18-34(28,29(36)37)20-19-32(23,33)7/h9-10,22-26,28H,2,11-20H2,1,3-8H3,(H,36,37)/b10-9+/t22-,23+,24-,25+,26-,28+,31-,32+,33+,34-/m0/s1
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| InChIKey |
GKLTYMVQESOHKZ-PMYYZYIHSA-N
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| PubChem Compound ID | ||||
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