General Information of the Compound
| Compound ID |
CP0510862
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| Compound Name |
methyl 2-[3-[[6-amino-2-(2-methoxyethoxy)-8-oxo-7H-purin-9-yl]methyl]phenyl]acetate
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| Structure |
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| Formula |
C18H21N5O5
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| Molecular Weight |
387.396
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| Canonical SMILES |
COCCOc1nc(N)c2[nH]c(=O)n(Cc3cccc(CC(=O)OC)c3)c2n1
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| InChI |
InChI=1S/C18H21N5O5/c1-26-6-7-28-17-21-15(19)14-16(22-17)23(18(25)20-14)10-12-5-3-4-11(8-12)9-13(24)27-2/h3-5,8H,6-7,9-10H2,1-2H3,(H,20,25)(H2,19,21,22)
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| InChIKey |
UICNECIXFRNYJM-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