General Information of the Compound
| Compound ID |
CP0366501
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| Compound Name |
5-amino-1-[(1R,6R,8R,9R,10S,15R,17R,18R)-8-(6-aminopurin-9-yl)-3,9,12,18-tetrahydroxy-3,12-dioxo-2,4,7,11,13,16-hexaoxa-3lambda5,12lambda5-diphosphatricyclo[13.2.1.06,10]octadecan-17-yl]imidazole-4-carboxamide
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| Structure |
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| Formula |
C19H25N9O13P2
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| Molecular Weight |
649.407
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| Canonical SMILES |
NC(=O)c1ncn([C@@H]2O[C@@H]3COP(O)(=O)O[C@@H]4[C@@H](COP(O)(=O)O[C@@H]2[C@@H]3O)O[C@H]([C@@H]4O)n2cnc3c(N)ncnc23)c1N
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| InChI |
InChI=1S/C19H25N9O13P2/c20-14-8-17(24-3-23-14)28(5-25-8)18-11(30)12-7(39-18)2-37-43(34,35)41-13-10(29)6(1-36-42(32,33)40-12)38-19(13)27-4-26-9(15(27)21)16(22)31/h3-7,10-13,18-19,29-30H,1-2,21H2,(H2,22,31)(H,32,33)(H,34,35)(H2,20,23,24)/t6-,7-,10-,11-,12-,13-,18-,19-/m1/s1
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| InChIKey |
PXTILRULVYWNTI-INFSMZHSSA-N
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| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
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Map of Molecular Bioactivity Related to the Compound
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Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
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Table of Molecular Bioactivities Related to the Compound