General Information of the Compound
| Compound ID |
CP0424917
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| Compound Name |
(2S,3S,4R,5R)-5-(6-(5-chloro-2-methoxybenzylamino)-9H-purin-9-yl)-3-(aminomethyl)-4-hydroxy-N-methyl-tetrahydrofuran-2-carboxamide
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| Structure |
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| Formula |
C20H24ClN7O4
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| Molecular Weight |
461.91
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| Canonical SMILES |
CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1CN)n1cnc2c(NCc3cc(Cl)ccc3OC)ncnc12
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| InChI |
InChI=1S/C20H24ClN7O4/c1-23-19(30)16-12(6-22)15(29)20(32-16)28-9-27-14-17(25-8-26-18(14)28)24-7-10-5-11(21)3-4-13(10)31-2/h3-5,8-9,12,15-16,20,29H,6-7,22H2,1-2H3,(H,23,30)(H,24,25,26)/t12-,15+,16-,20+/m0/s1
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| InChIKey |
SJEOECKFMZUIFE-UXFYUNLUSA-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