General Information of the Compound
| Compound ID |
CP0239512
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| Compound Name |
2-amino-9-[(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]-1-methylpurin-6-one
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| Structure |
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| Formula |
C21H26N10O13P2
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| Molecular Weight |
688.444
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| Canonical SMILES |
Cn1c(N)nc2n(cnc2c1=O)[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)ncnc12
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| InChI |
InChI=1S/C21H26N10O13P2/c1-29-18(34)10-17(28-21(29)23)31(6-27-10)20-14-11(32)7(41-20)2-39-45(35,36)43-13-8(3-40-46(37,38)44-14)42-19(12(13)33)30-5-26-9-15(22)24-4-25-16(9)30/h4-8,11-14,19-20,32-33H,2-3H2,1H3,(H2,23,28)(H,35,36)(H,37,38)(H2,22,24,25)/t7-,8-,11-,12-,13-,14-,19-,20-/m1/s1
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| InChIKey |
PCGZLBNJZQNWTE-XPWFQUROSA-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