Binder Information
| Binder General Information | Top | |||
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| Binder ID |
BYI18Q
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| Binder Name |
Betulinic acid 3-O-benzoate
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| Synonyms |
CHEMBL509553; BDBM50292432; 3beta-(Benzoyloxy)lupa-20(29)-ene-28-oic acid
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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 |
C37H52O4
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| Canonical SMILES |
CC(=C)[C@@H]1CC[C@]2([C@H]1[C@H]3CC[C@@H]4[C@]5(CC[C@@H](C([C@@H]5CC[C@]4([C@@]3(CC2)C)C)(C)C)OC(=O)C6=CC=CC=C6)C)C(=O)O
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| InChI |
1S/C37H52O4/c1-23(2)25-15-20-37(32(39)40)22-21-35(6)26(30(25)37)13-14-28-34(5)18-17-29(41-31(38)24-11-9-8-10-12-24)33(3,4)27(34)16-19-36(28,35)7/h8-12,25-30H,1,13-22H2,2-7H3,(H,39,40)/t25-,26+,27-,28+,29-,30+,34-,35+,36+,37-/m0/s1
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| InChIKey |
NLNQDRBZXLUPQC-DWKDZXJCSA-N
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| PubChem Compound ID | ||||
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