General Information of the Compound
| Compound ID |
CP0407561
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| Compound Name |
9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]-8-[[3-(4-hydroxybutoxy)-4-phenylphenyl]methylamino]-1H-purin-6-one
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| Structure |
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| Formula |
C27H31N5O7
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| Molecular Weight |
537.573
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| Canonical SMILES |
OCCCCOc1cc(CNc2nc3c(nc[nH]c3=O)n2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)ccc1-c1ccccc1
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| InChI |
InChI=1S/C27H31N5O7/c33-10-4-5-11-38-19-12-16(8-9-18(19)17-6-2-1-3-7-17)13-28-27-31-21-24(29-15-30-25(21)37)32(27)26-23(36)22(35)20(14-34)39-26/h1-3,6-9,12,15,20,22-23,26,33-36H,4-5,10-11,13-14H2,(H,28,31)(H,29,30,37)/t20-,22-,23-,26-/m1/s1
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| InChIKey |
BEAUJEFXKBAGNO-HUBRGWSESA-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