Binder Information
Binder General Information | Top | |||
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Binder ID |
B69BAD
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Binder Name |
Cyclonellin
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Synonyms |
CHEMBL508767; NSC731582; NSC-731582
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Binder Type |
Small molecular drug
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Structure |
Download2D MOL
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Formula |
C45H62N12O12
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Canonical SMILES |
C[C@H]1C(=O)N[C@H](C(=O)N2CCC[C@H]2C(=O)N[C@H](C(=O)N[C@H](C(=O)N3CCC[C@H]3C(=O)N[C@H](C(=O)N[C@H](C(=O)N1)[C@@H](C)O)CC4=CC=C(C=C4)O)CC5=CC=C(C=C5)O)CCCN=C(N)N)CC(=O)N
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InChI |
1S/C45H62N12O12/c1-23-37(62)53-32(22-35(46)61)44(69)57-19-4-7-33(57)40(65)51-29(6-3-17-49-45(47)48)38(63)54-31(21-26-11-15-28(60)16-12-26)43(68)56-18-5-8-34(56)41(66)52-30(20-25-9-13-27(59)14-10-25)39(64)55-36(24(2)58)42(67)50-23/h9-16,23-24,29-34,36,58-60H,3-8,17-22H2,1-2H3,(H2,46,61)(H,50,67)(H,51,65)(H,52,66)(H,53,62)(H,54,63)(H,55,64)(H4,47,48,49)/t23-,24+,29-,30-,31-,32-,33-,34-,36-/m0/s1
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InChIKey |
QJCLMDOTVMDUCX-ACOBSCFGSA-N
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PubChem Compound ID |
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