General Information of the Compound
| Compound ID |
CP0539608
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| Compound Name |
methyl 2-[3-[(6-amino-2-butoxy-8-oxo-7H-purin-9-yl)methyl]phenyl]propanoate
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| Structure |
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| Formula |
C20H25N5O4
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| Molecular Weight |
399.451
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| Canonical SMILES |
CCCCOc1nc(N)c2[nH]c(=O)n(Cc3cccc(c3)C(C)C(=O)OC)c2n1
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| InChI |
InChI=1S/C20H25N5O4/c1-4-5-9-29-19-23-16(21)15-17(24-19)25(20(27)22-15)11-13-7-6-8-14(10-13)12(2)18(26)28-3/h6-8,10,12H,4-5,9,11H2,1-3H3,(H,22,27)(H2,21,23,24)
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| InChIKey |
QYRJPNAQYOAJPI-UHFFFAOYSA-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