General Information of the Compound
| Compound ID |
CP0471488
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| Compound Name |
[[(2R,3R,4S,5R)-5-[2-chloro-6-[[(3S)-oxolan-3-yl]amino]purin-9-yl]-4-fluoro-3-hydroxyoxolan-2-yl]methoxy-hydroxyphosphoryl]methylphosphonic acid
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| Structure |
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| Formula |
C15H21ClFN5O9P2
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| Molecular Weight |
531.758
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| Canonical SMILES |
O[C@H]1[C@H](F)[C@@H](O[C@@H]1COP(O)(=O)CP(O)(O)=O)n1cnc2c(N[C@H]3CCOC3)nc(Cl)nc12
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| InChI |
InChI=1S/C15H21ClFN5O9P2/c16-15-20-12(19-7-1-2-29-3-7)10-13(21-15)22(5-18-10)14-9(17)11(23)8(31-14)4-30-33(27,28)6-32(24,25)26/h5,7-9,11,14,23H,1-4,6H2,(H,27,28)(H,19,20,21)(H2,24,25,26)/t7-,8+,9-,11+,14+/m0/s1
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| InChIKey |
JEMMDEIMNKQOAW-KPLLRRJNSA-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