General Information of the Compound
| Compound ID |
CP0565058
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| Compound Name |
(2S,3S,4R,5R)-3,4-dihydroxy-N-methyl-5-[6-(4-phenylbutylamino)purin-9-yl]oxolane-2-carboxamide
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| Formula |
C21H26N6O4
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| Molecular Weight |
426.477
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| Canonical SMILES |
CNC(=O)[C@H]1O[C@H]([C@H](O)[C@@H]1O)n1cnc2c(NCCCCc3ccccc3)ncnc12
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| InChI |
InChI=1S/C21H26N6O4/c1-22-20(30)17-15(28)16(29)21(31-17)27-12-26-14-18(24-11-25-19(14)27)23-10-6-5-9-13-7-3-2-4-8-13/h2-4,7-8,11-12,15-17,21,28-29H,5-6,9-10H2,1H3,(H,22,30)(H,23,24,25)/t15-,16+,17-,21+/m0/s1
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| InChIKey |
OUCYBLQSKFXVIP-GRXQJBFDSA-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