General Information of the Compound
| Compound ID |
CP0330298
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| Compound Name |
2-amino-9-[(1R,6R,8R,9R,10S,15R,17R,18R)-8-(2-amino-6-methylsulfanylpurin-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 |
C21H26N10O13P2S
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| Molecular Weight |
720.511
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| Canonical SMILES |
CSc1nc(N)nc2n(cnc12)[C@@H]1O[C@@H]2COP(O)(=O)O[C@@H]3[C@H](O)[C@@H](COP(O)(=O)O[C@H]2[C@H]1O)O[C@H]3n1cnc2c1nc(N)[nH]c2=O
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| InChI |
InChI=1S/C21H26N10O13P2S/c1-47-17-9-15(27-21(23)29-17)30(5-25-9)18-11(33)12-7(42-18)3-40-46(37,38)44-13-10(32)6(2-39-45(35,36)43-12)41-19(13)31-4-24-8-14(31)26-20(22)28-16(8)34/h4-7,10-13,18-19,32-33H,2-3H2,1H3,(H,35,36)(H,37,38)(H2,23,27,29)(H3,22,26,28,34)/t6-,7-,10-,11-,12-,13-,18-,19-/m1/s1
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| InChIKey |
PEFGMZGLUPVLAJ-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