General Information of the Compound
| Compound ID |
CP0288428
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| Compound Name |
(2S,3S,4R,5R)-2-(chloromethyl)-5-[6-[[(1S,5S,6S)-3-thiatricyclo[3.2.1.02,4]octan-6-yl]amino]purin-9-yl]oxolane-3,4-diol
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| Structure |
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| Formula |
C17H20ClN5O3S
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| Molecular Weight |
409.899
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| Canonical SMILES |
O[C@@H]1[C@@H](CCl)O[C@H]([C@@H]1O)n1cnc2c(N[C@H]3C[C@@H]4C[C@@H]3C3SC43)ncnc12
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| InChI |
InChI=1S/C17H20ClN5O3S/c18-3-9-11(24)12(25)17(26-9)23-5-21-10-15(19-4-20-16(10)23)22-8-2-6-1-7(8)14-13(6)27-14/h4-9,11-14,17,24-25H,1-3H2,(H,19,20,22)/t6-,7-,8-,9+,11+,12+,13?,14?,17+/m0/s1
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| InChIKey |
WXZHKNSVIRRPQH-OAGDEQAYSA-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