General Information of the Compound
| Compound ID |
CP0837761
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| Compound Name |
2-[2-Chloro-6-(3-iodo-benzylamino)-purin-9-yl]-5-ethoxymethyl-tetrahydro-furan-3,4-diol
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| Structure |
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| Formula |
C19H21ClIN5O4
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| Molecular Weight |
545.765
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| Canonical SMILES |
CCOC[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)nc(Cl)nc32)[C@H](O)[C@@H]1O
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| InChI |
InChI=1S/C19H21ClIN5O4/c1-2-29-8-12-14(27)15(28)18(30-12)26-9-23-13-16(24-19(20)25-17(13)26)22-7-10-4-3-5-11(21)6-10/h3-6,9,12,14-15,18,27-28H,2,7-8H2,1H3,(H,22,24,25)/t12-,14-,15-,18-/m1/s1
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| InChIKey |
IJKYHPSTWVHGBB-SCFUHWHPSA-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