General Information of the Compound
| Compound ID |
CP0375436
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| Compound Name |
[[[(1S,5S)-4-(6-aminopurin-9-yl)-2,3-dihydroxy-1-bicyclo[3.1.0]hexanyl]methoxy-hydroxyphosphoryl]oxy-hydroxyphosphoryl]methylphosphonic acid
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| Structure |
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| Formula |
C13H20N5O11P3
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| Molecular Weight |
515.249
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| Canonical SMILES |
Nc1ncnc2n(cnc12)C1[C@H]2C[C@@]2(COP(O)(=O)OP(O)(=O)CP(O)(O)=O)C(O)C1O
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| InChI |
InChI=1S/C13H20N5O11P3/c14-11-7-12(16-3-15-11)18(4-17-7)8-6-1-13(6,10(20)9(8)19)2-28-32(26,27)29-31(24,25)5-30(21,22)23/h3-4,6,8-10,19-20H,1-2,5H2,(H,24,25)(H,26,27)(H2,14,15,16)(H2,21,22,23)/t6-,8?,9?,10?,13-/m1/s1
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| InChIKey |
MKVTVJMTIVFNCE-LSAKBDTQSA-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