General Information of the Compound
| Compound ID |
CP0160318
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| Compound Name |
2-amino-9-[(1R,6R,8R,10S,15S,17R)-8-(6-aminopurin-9-yl)-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 |
C20H24N10O11P2
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| Molecular Weight |
642.419
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| Canonical SMILES |
Nc1nc2n(cnc2c(=O)[nH]1)[C@@H]1O[C@H]2C[C@H]1OP(O)(=O)OC[C@H]1O[C@H](C[C@@H]1OP(O)(=O)OC2)n1cnc2c(N)ncnc12
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| InChI |
InChI=1S/C20H24N10O11P2/c21-15-13-16(24-5-23-15)29(6-25-13)12-2-9-11(39-12)4-37-43(34,35)41-10-1-8(3-36-42(32,33)40-9)38-19(10)30-7-26-14-17(30)27-20(22)28-18(14)31/h5-12,19H,1-4H2,(H,32,33)(H,34,35)(H2,21,23,24)(H3,22,27,28,31)/t8-,9-,10+,11+,12+,19+/m0/s1
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| InChIKey |
QZIXPPJOQTVBNB-MFRTWQQUSA-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