General Information of the Compound
| Compound ID |
CP0549819
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| Compound Name |
(1R,6R,8R,9R,10S,15R,17R,18R)-8,17-bis(4-amino-5-phenylpyrrolo[2,3-d]pyrimidin-7-yl)-3,12-dihydroxy-3,12-dioxo-2,4,7,11,13,16-hexaoxa-3lambda5,12lambda5-diphosphatricyclo[13.2.1.06,10]octadecane-9,18-diol
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| Structure |
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| Formula |
C34H34N8O12P2
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| Molecular Weight |
808.638
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| Canonical SMILES |
Nc1ncnc2n(cc(-c3ccccc3)c12)[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]3n1cc(-c2ccccc2)c2c(N)ncnc12
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| InChI |
InChI=1S/C34H34N8O12P2/c35-29-23-19(17-7-3-1-4-8-17)11-41(31(23)39-15-37-29)33-26(44)27-22(52-33)14-50-56(47,48)54-28-25(43)21(13-49-55(45,46)53-27)51-34(28)42-12-20(18-9-5-2-6-10-18)24-30(36)38-16-40-32(24)42/h1-12,15-16,21-22,25-28,33-34,43-44H,13-14H2,(H,45,46)(H,47,48)(H2,35,37,39)(H2,36,38,40)/t21-,22-,25-,26-,27-,28-,33-,34-/m1/s1
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| InChIKey |
SHKICKMBMVUYJV-NJVYLJTFSA-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