General Information of the Compound
| Compound ID |
CP0537738
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| Compound Name |
[(2R,3S,4R)-5-[2-chloro-6-(oxolan-3-ylamino)purin-9-yl]-3,4-dihydroxyoxolan-2-yl]methyl N-cyclopentylcarbamate
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| Structure |
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| Formula |
C20H27ClN6O6
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| Molecular Weight |
482.925
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| Canonical SMILES |
O[C@H]1[C@@H](O)C(O[C@@H]1COC(=O)NC1CCCC1)n1cnc2c(NC3CCOC3)nc(Cl)nc12
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| InChI |
InChI=1S/C20H27ClN6O6/c21-19-25-16(23-11-5-6-31-7-11)13-17(26-19)27(9-22-13)18-15(29)14(28)12(33-18)8-32-20(30)24-10-3-1-2-4-10/h9-12,14-15,18,28-29H,1-8H2,(H,24,30)(H,23,25,26)/t11?,12-,14-,15-,18?/m1/s1
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| InChIKey |
NXPGMHLDKKABEK-WFIMNSBASA-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