General Information of the Compound
| Compound ID |
CP0323316
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| Compound Name |
2-amino-9-[(1R,6R,8R,9S,10S,15R,17R,18R)-8-(6-amino-2-fluoropurin-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 |
C20H23FN10O13P2
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| Molecular Weight |
692.407
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| Canonical SMILES |
Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@@H]2COP(O)(=O)O[C@@H]3[C@@H](COP(O)(=O)O[C@@H]1[C@@H]2O)O[C@H]([C@H]3O)n1cnc2c(N)nc(F)nc12
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| InChI |
InChI=1S/C20H23FN10O13P2/c21-19-26-13(22)7-14(27-19)30(3-24-7)17-10(33)11-6(42-17)2-40-46(37,38)44-12-9(32)5(1-39-45(35,36)43-11)41-18(12)31-4-25-8-15(31)28-20(23)29-16(8)34/h3-6,9-12,17-18,32-33H,1-2H2,(H,35,36)(H,37,38)(H2,22,26,27)(H3,23,28,29,34)/t5-,6-,9-,10+,11-,12-,17-,18-/m1/s1
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| InChIKey |
MPXIMVUZZUPAJS-UPTOPQPMSA-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