General Information of the Compound
| Compound ID |
CP0374714
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| Compound Name |
(2S,3S,4R,5R)-3,4-dihydroxy-N-methyl-5-[6-[(3-methylphenyl)methylamino]purin-9-yl]oxolane-2-carboxamide
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| Structure |
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| Formula |
C19H22N6O4
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| Molecular Weight |
398.423
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| Canonical SMILES |
CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCc3cccc(C)c3)ncnc12
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| InChI |
InChI=1S/C19H22N6O4/c1-10-4-3-5-11(6-10)7-21-16-12-17(23-8-22-16)25(9-24-12)19-14(27)13(26)15(29-19)18(28)20-2/h3-6,8-9,13-15,19,26-27H,7H2,1-2H3,(H,20,28)(H,21,22,23)/t13-,14+,15-,19+/m0/s1
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| InChIKey |
JDYQSGOBWFISCE-QCUYGVNKSA-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