Binder Information
| Binder General Information | Top | |||
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| Binder ID |
B8ESW9
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| Binder Name |
Tetrasodium;[chloro-[[[(2R,3S,4R,5R)-3,4-dihydroxy-5-[6-(propylamino)purin-9-yl]oxolan-2-yl]methoxy-oxidophosphinothioyl]oxy-oxidophosphoryl]methyl]-[[(2R,3S,4R,5R)-3,4-dihydroxy-5-[6-(propylamino)purin-9-yl]oxolan-2-yl]methoxy-oxidophosphinothioyl]oxyphosphinate
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| Synonyms |
CHEMBL3746451; BDBM50500437
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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 |
C27H37ClN10Na4O16P4S2
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| Canonical SMILES |
CCCNC1=C2C(=NC=N1)N(C=N2)[C@H]3[C@@H]([C@@H]([C@H](O3)COP(=S)([O-])OP(=O)(C(P(=O)([O-])OP(=S)([O-])OC[C@@H]4[C@H]([C@H]([C@@H](O4)N5C=NC6=C(N=CN=C65)NCCC)O)O)Cl)[O-])O)O.[Na+].[Na+].[Na+].[Na+]
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| InChI |
1S/C27H41ClN10O16P4S2.4Na/c1-3-5-29-21-15-23(33-9-31-21)37(11-35-15)25-19(41)17(39)13(51-25)7-49-57(47,59)53-55(43,44)27(28)56(45,46)54-58(48,60)50-8-14-18(40)20(42)26(52-14)38-12-36-16-22(30-6-4-2)32-10-34-24(16)38;;;;/h9-14,17-20,25-27,39-42H,3-8H2,1-2H3,(H,43,44)(H,45,46)(H,47,59)(H,48,60)(H,29,31,33)(H,30,32,34);;;;/q;4*+1/p-4/t13-,14-,17-,18-,19-,20-,25-,26-,27?,57?,58?;;;;/m1..../s1
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| InChIKey |
WKAZRFNMBQXNRE-XPMJVTFTSA-J
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| PubChem Compound ID | ||||
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