General Information of the Compound
| Compound ID |
CP0452135
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| Compound Name |
(2S,3S,4R,5R)-2-(4-ethyl-1H-1,2,3-triazol-1-yl)-5-(2-(2-(1-ethyl-1H-imidazol-4-yl)ethylamino)-6-(2-ethylbutylamino)-9H-purin-9-yl)tetrahydrofuran-3,4-diol
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| Structure |
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| Formula |
C27H41N11O2
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| Molecular Weight |
551.7
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| Canonical SMILES |
CCC(CC)CNc1nc(NCCc2cn(CC)cn2)nc2n(cnc12)[C@@H]1C[C@@H]([C@@H](O)[C@H]1O)n1cc(CC)nn1
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| InChI |
InChI=1S/C27H41N11O2/c1-5-17(6-2)12-29-25-22-26(33-27(32-25)28-10-9-19-13-36(8-4)15-30-19)37(16-31-22)20-11-21(24(40)23(20)39)38-14-18(7-3)34-35-38/h13-17,20-21,23-24,39-40H,5-12H2,1-4H3,(H2,28,29,32,33)/t20-,21+,23+,24-/m1/s1
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| InChIKey |
XUFSLOHWIRUYOK-AWAHEQQVSA-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