General Information of the Compound
| Compound ID |
CP0420090
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| Compound Name |
methyl 2-[5-[[[6-amino-9-[(2R,3R,4S,5R)-3,4-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]purin-8-yl]amino]methyl]-2-phenylphenoxy]acetate
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| Structure |
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| Formula |
C26H28N6O7
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| Molecular Weight |
536.545
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| Canonical SMILES |
COC(=O)COc1cc(CNc2nc3c(N)ncnc3n2[C@@H]2O[C@H](CO)[C@@H](O)[C@H]2O)ccc1-c1ccccc1
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| InChI |
InChI=1S/C26H28N6O7/c1-37-19(34)12-38-17-9-14(7-8-16(17)15-5-3-2-4-6-15)10-28-26-31-20-23(27)29-13-30-24(20)32(26)25-22(36)21(35)18(11-33)39-25/h2-9,13,18,21-22,25,33,35-36H,10-12H2,1H3,(H,28,31)(H2,27,29,30)/t18-,21-,22-,25-/m1/s1
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| InChIKey |
HKPZZIIGGURDLW-PXOHRUDZSA-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