General Information of the Compound
| Compound ID |
CP0429615
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| Compound Name |
2-amino-4-(((2S,3S,4R,5R)-3,4-dihydroxy-5-(6-(phenylamino)-9H-purin-9-yl)-tetrahydrofuran-2-yl)methylthio)butanoic acid
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| Structure |
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| Formula |
C20H24N6O5S
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| Molecular Weight |
460.516
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| Canonical SMILES |
NC(CCSC[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(Nc3ccccc3)ncnc12)C(O)=O
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| InChI |
InChI=1S/C20H24N6O5S/c21-12(20(29)30)6-7-32-8-13-15(27)16(28)19(31-13)26-10-24-14-17(22-9-23-18(14)26)25-11-4-2-1-3-5-11/h1-5,9-10,12-13,15-16,19,27-28H,6-8,21H2,(H,29,30)(H,22,23,25)/t12?,13-,15-,16-,19-/m1/s1
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| InChIKey |
YMMPYUOHWIGNHQ-XTMLTMLVSA-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