General Information of the Compound
| Compound ID |
CP0890782
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| Compound Name |
2-Chloromethyl-5-[6-(3-iodo-benzylamino)-purin-9-yl]-tetrahydro-furan-3,4-diol
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| Structure |
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| Formula |
C17H17ClIN5O3
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| Molecular Weight |
501.712
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| Canonical SMILES |
O[C@@H]1[C@H](O)[C@@H](CCl)O[C@H]1n1cnc2c(NCc3cccc(I)c3)ncnc21
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| InChI |
InChI=1S/C17H17ClIN5O3/c18-5-11-13(25)14(26)17(27-11)24-8-23-12-15(21-7-22-16(12)24)20-6-9-2-1-3-10(19)4-9/h1-4,7-8,11,13-14,17,25-26H,5-6H2,(H,20,21,22)/t11-,13-,14-,17-/m1/s1
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| InChIKey |
CVYRHWBUIPPTER-LSCFUAHRSA-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