General Information of the Compound
| Compound ID |
CP0285358
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| Compound Name |
[(2R,3S,4R,5R)-3,4-dihydroxy-5-[6-[[(1S,5S,6S)-3-thiatricyclo[3.2.1.02,4]octan-6-yl]amino]purin-9-yl]oxolan-2-yl] N-methylcarbamate
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| Structure |
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| Formula |
C18H22N6O5S
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| Molecular Weight |
434.478
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| Canonical SMILES |
CNC(=O)O[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(N[C@H]3C[C@@H]4C[C@@H]3C3SC43)ncnc12
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| InChI |
InChI=1S/C18H22N6O5S/c1-19-18(27)29-17-11(26)10(25)16(28-17)24-5-22-9-14(20-4-21-15(9)24)23-8-3-6-2-7(8)13-12(6)30-13/h4-8,10-13,16-17,25-26H,2-3H2,1H3,(H,19,27)(H,20,21,23)/t6-,7-,8-,10+,11-,12?,13?,16+,17+/m0/s1
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| InChIKey |
YNRMGZDMEANTQU-BXXOZDDQSA-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