General Information of the Compound
| Compound ID |
CP0239506
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| Compound Name |
2-amino-9-[(1S,6R,8R,10S,15R,17R,18R)-8-(6-amino-2-fluoropurin-9-yl)-18-fluoro-3,12-dihydroxy-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 |
C20H22F2N10O11P2
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| Molecular Weight |
678.399
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| Canonical SMILES |
Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@@H]2COP(O)(=O)O[C@H]3C[C@@H](O[C@@H]3COP(O)(=O)O[C@@H]1[C@@H]2F)n1cnc2c(N)nc(F)nc12
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| InChI |
InChI=1S/C20H22F2N10O11P2/c21-10-8-3-39-44(34,35)42-6-1-9(31-4-25-11-14(23)27-19(22)28-15(11)31)40-7(6)2-38-45(36,37)43-13(10)18(41-8)32-5-26-12-16(32)29-20(24)30-17(12)33/h4-10,13,18H,1-3H2,(H,34,35)(H,36,37)(H2,23,27,28)(H3,24,29,30,33)/t6-,7+,8+,9+,10+,13+,18+/m0/s1
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| InChIKey |
DFALHAIVOQROLH-GFHWJRTRSA-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