General Information of the Compound
| Compound ID |
CP0508088
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| Compound Name |
(2R,3R,4S,5R)-2-[2-Chloro-6-(3-iodo-benzylamino)-purin-9-yl]-5-isoxazol-3-yl-tetrahydro-furan-3,4-diol
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| Structure |
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| Formula |
C19H16ClIN6O4
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| Molecular Weight |
554.732
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| Canonical SMILES |
O[C@H]1[C@@H](O)[C@@H](O[C@@H]1c1ccon1)n1cnc2c(NCc3cccc(I)c3)nc(Cl)nc12
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| InChI |
InChI=1S/C19H16ClIN6O4/c20-19-24-16(22-7-9-2-1-3-10(21)6-9)12-17(25-19)27(8-23-12)18-14(29)13(28)15(31-18)11-4-5-30-26-11/h1-6,8,13-15,18,28-29H,7H2,(H,22,24,25)/t13-,14+,15+,18+/m0/s1
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| InChIKey |
BBYMTSRJCMVUJS-LUXYFRNMSA-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