General Information of the Compound
| Compound ID |
CP0449438
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| Compound Name |
2,3-Dihydroxy-4-[6-(3-iodo-benzylamino)-purin-9-yl]-cyclopentanecarboxylic acid methylamide
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| Structure |
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| Formula |
C19H21IN6O3
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| Molecular Weight |
508.32
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| Canonical SMILES |
CNC(=O)C1CC(C(O)C1O)n1cnc2c(NCc3cccc(I)c3)ncnc12
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| InChI |
InChI=1S/C19H21IN6O3/c1-21-19(29)12-6-13(16(28)15(12)27)26-9-25-14-17(23-8-24-18(14)26)22-7-10-3-2-4-11(20)5-10/h2-5,8-9,12-13,15-16,27-28H,6-7H2,1H3,(H,21,29)(H,22,23,24)
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| InChIKey |
RIXRHKHRKDXAQQ-UHFFFAOYSA-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