General Information of the Compound
| Compound ID |
CP0529874
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| Compound Name |
[(1R,5S)-4-(6-amino-2-iodopurin-9-yl)-2-phosphonooxy-1-bicyclo[3.1.0]hexanyl]methyl dihydrogen phosphate
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| Structure |
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| Formula |
C12H16IN5O8P2
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| Molecular Weight |
547.139
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| Canonical SMILES |
Nc1nc(I)nc2n(cnc12)C1CC(OP(O)(O)=O)[C@]2(COP(O)(O)=O)C[C@H]12
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| InChI |
InChI=1S/C12H16IN5O8P2/c13-11-16-9(14)8-10(17-11)18(4-15-8)6-1-7(26-28(22,23)24)12(2-5(6)12)3-25-27(19,20)21/h4-7H,1-3H2,(H2,14,16,17)(H2,19,20,21)(H2,22,23,24)/t5-,6?,7?,12+/m1/s1
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| InChIKey |
FOLHZLOARGJPNX-KCNSGJITSA-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