General Information of the Compound
| Compound ID |
CP0845030
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| Compound Name |
2-[6-(3-Iodo-benzylamino)-purin-9-yl]-5-propylsulfanylmethyl-tetrahydro-furan-3,4-diol
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| Structure |
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| Formula |
C20H24IN5O3S
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| Molecular Weight |
541.415
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| Canonical SMILES |
CCCSC[C@H]1O[C@@H](n2cnc3c(NCc4cccc(I)c4)ncnc32)[C@H](O)[C@@H]1O
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| InChI |
InChI=1S/C20H24IN5O3S/c1-2-6-30-9-14-16(27)17(28)20(29-14)26-11-25-15-18(23-10-24-19(15)26)22-8-12-4-3-5-13(21)7-12/h3-5,7,10-11,14,16-17,20,27-28H,2,6,8-9H2,1H3,(H,22,23,24)/t14-,16-,17-,20-/m1/s1
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| InChIKey |
XVFAAMYENHFFLZ-WVSUBDOOSA-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