General Information of the Compound
| Compound ID |
CP0543811
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| Compound Name |
[(2R,3S,4R)-3,4-dihydroxy-5-[6-(oxolan-3-ylamino)purin-9-yl]oxolan-2-yl]methyl N-cyclobutylcarbamate
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| Structure |
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| Formula |
C19H26N6O6
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| Molecular Weight |
434.453
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| Canonical SMILES |
O[C@@H]1[C@@H](COC(=O)NC2CCC2)OC([C@@H]1O)n1cnc2c(NC3CCOC3)ncnc12
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| InChI |
InChI=1S/C19H26N6O6/c26-14-12(7-30-19(28)24-10-2-1-3-10)31-18(15(14)27)25-9-22-13-16(20-8-21-17(13)25)23-11-4-5-29-6-11/h8-12,14-15,18,26-27H,1-7H2,(H,24,28)(H,20,21,23)/t11?,12-,14-,15-,18?/m1/s1
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| InChIKey |
VWFLOFMOVISAHQ-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