General Information of the Compound
| Compound ID |
CP0523889
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| Compound Name |
4-[2-[[2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenoxy]acetyl]amino]ethylamino]-4-oxobutanoic acid
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| Structure |
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| Formula |
C25H32N6O7
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| Molecular Weight |
528.566
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| Canonical SMILES |
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCCNC(=O)CCC(O)=O)cc1
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| InChI |
InChI=1S/C25H32N6O7/c1-3-13-30-23-21(24(36)31(14-4-2)25(30)37)28-22(29-23)16-5-7-17(8-6-16)38-15-19(33)27-12-11-26-18(32)9-10-20(34)35/h5-8H,3-4,9-15H2,1-2H3,(H,26,32)(H,27,33)(H,28,29)(H,34,35)
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| InChIKey |
OIAISWGRXLQNOC-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