General Information of the Compound
| Compound ID |
CP0498809
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| Compound Name |
2-amino-4-(((2S,3S,4R,5R)-5-(6-amino-2-methoxy-9H-purin-9-yl)-3,4-dihydroxy-tetrahydrofuran-2-yl)methylthio)butanoic acid
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| Structure |
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| Formula |
C15H22N6O6S
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| Molecular Weight |
414.444
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| Canonical SMILES |
COc1nc(N)c2ncn([C@@H]3O[C@H](CSCCC(N)C(O)=O)[C@@H](O)[C@H]3O)c2n1
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| InChI |
InChI=1S/C15H22N6O6S/c1-26-15-19-11(17)8-12(20-15)21(5-18-8)13-10(23)9(22)7(27-13)4-28-3-2-6(16)14(24)25/h5-7,9-10,13,22-23H,2-4,16H2,1H3,(H,24,25)(H2,17,19,20)/t6?,7-,9-,10-,13-/m1/s1
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| InChIKey |
VVADSJZSHIZJBJ-ZRURSIFKSA-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