General Information of the Compound
| Compound ID |
CP0498526
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| Compound Name |
(2S,3S,4R,5R)-5-(6-(3-iodobenzylamino)-9H-purin-9-yl)-3-(aminomethyl)-4-hydroxy-N-methyl-tetrahydrofuran-2-carboxamide
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| Structure |
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| Formula |
C19H22IN7O3
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| Molecular Weight |
523.335
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| Canonical SMILES |
CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1CN)n1cnc2c(NCc3cccc(I)c3)ncnc12
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| InChI |
InChI=1S/C19H22IN7O3/c1-22-18(29)15-12(6-21)14(28)19(30-15)27-9-26-13-16(24-8-25-17(13)27)23-7-10-3-2-4-11(20)5-10/h2-5,8-9,12,14-15,19,28H,6-7,21H2,1H3,(H,22,29)(H,23,24,25)/t12-,14+,15-,19+/m0/s1
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| InChIKey |
GYDFJIXNQHSXKC-OUFKLWKOSA-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