General Information of the Compound
| Compound ID |
CP0160322
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| Compound Name |
2-amino-9-[(1R,6R,8R,9R,10S,15R,17R,18R)-8-(2-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]-1H-purin-6-one
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| Structure |
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| Formula |
C20H24N10O13P2
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| Molecular Weight |
674.417
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| Canonical SMILES |
Nc1ncc2ncn([C@@H]3O[C@@H]4COP(O)(=O)O[C@@H]5[C@H](O)[C@@H](COP(O)(=O)O[C@H]4[C@H]3O)O[C@H]5n3cnc4c3nc(N)[nH]c4=O)c2n1
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| InChI |
InChI=1S/C20H24N10O13P2/c21-19-23-1-6-14(26-19)29(4-24-6)17-11(32)12-8(41-17)3-39-45(36,37)43-13-10(31)7(2-38-44(34,35)42-12)40-18(13)30-5-25-9-15(30)27-20(22)28-16(9)33/h1,4-5,7-8,10-13,17-18,31-32H,2-3H2,(H,34,35)(H,36,37)(H2,21,23,26)(H3,22,27,28,33)/t7-,8-,10-,11-,12-,13-,17-,18-/m1/s1
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| InChIKey |
XEFUAFFWLATQFJ-PGLZXATESA-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