Binder Information
| Binder General Information | Top | |||
|---|---|---|---|---|
| Binder ID |
BCG56V
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| Binder Name |
[Tris-(2,2-dicarboxycyclopropyl)]-Buckmins model
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| Synonyms |
CHEMBL412073; BDBM50111616
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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 |
C69H6O12
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| Canonical SMILES |
C12=C3C4=C5C6=C1C7=C8C6=C9C1=C6C%10=C%11C%12=C%13C(=C9%10)C8=C8C%139C%10(C9(C(=O)O)C(=O)O)C9=C%13C8=C7C7=C2C2=C3C3=C8C%14=C%15C%16=C%17C%18=C%14C3=C4C(=C51)C%18=C6C%171C%11(C1(C(=O)O)C(=O)O)C1=C%16C3=C(C9=C4C(=C7%13)C2=C8C42C%153C2(C(=O)O)C(=O)O)C%10=C%121
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| InChI |
1S/C69H6O12/c70-55(71)67(56(72)73)61-43-25-16-7-1-4-2-6-3-5(1)11-17-8(3)15-21-12(6)18-9(2)14-20(10(4)16)29(43)35-23(14)33-27(18)45-30(21)36-24(15)32-26(17)44-28-19(11)13(7)22-31(25)46(61)37-40-52-41-38(47(32)62(44)64(52,49(37)34(22)28)68(62,57(74)75)58(76)77)51(36)66-54(41)42-39(50(35)65(61,67)53(40)42)48(33)63(45,66)69(66,59(78)79)60(80)81/h(H,70,71)(H,72,73)(H,74,75)(H,76,77)(H,78,79)(H,80,81)
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| InChIKey |
REBFNSXLKVXRSF-UHFFFAOYSA-N
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| PubChem Compound ID | ||||
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