General Information of the Compound
| Compound ID |
CP0288430
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| Compound Name |
O-[(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,N-dimethylcarbamothioate
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| Structure |
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| Formula |
C19H24N6O4S2
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| Molecular Weight |
464.573
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| Canonical SMILES |
CN(C)C(=S)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/C19H24N6O4S2/c1-24(2)19(30)29-18-12(27)11(26)17(28-18)25-6-22-10-15(20-5-21-16(10)25)23-9-4-7-3-8(9)14-13(7)31-14/h5-9,11-14,17-18,26-27H,3-4H2,1-2H3,(H,20,21,23)/t7-,8-,9-,11+,12-,13?,14?,17+,18+/m0/s1
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| InChIKey |
FFORQPDNYQWXDX-OWTHLSNYSA-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