General Information of the Compound
| Compound ID |
CP0570011
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| Compound Name |
3-[[(2R,3S,4R,5R)-5-[6-(benzylamino)-2-chloropurin-9-yl]-3,4-dihydroxyoxolan-2-yl]methoxy]propylphosphonic acid
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| Formula |
C20H25ClN5O7P
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| Molecular Weight |
513.875
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| Canonical SMILES |
O[C@@H]1[C@@H](COCCCP(O)(O)=O)O[C@H]([C@@H]1O)n1cnc2c(NCc3ccccc3)nc(Cl)nc12
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| InChI |
InChI=1S/C20H25ClN5O7P/c21-20-24-17(22-9-12-5-2-1-3-6-12)14-18(25-20)26(11-23-14)19-16(28)15(27)13(33-19)10-32-7-4-8-34(29,30)31/h1-3,5-6,11,13,15-16,19,27-28H,4,7-10H2,(H,22,24,25)(H2,29,30,31)/t13-,15-,16-,19-/m1/s1
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| InChIKey |
DFMOUAQWNSKKBD-NVQRDWNXSA-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