General Information of the Compound
| Compound ID |
CP0514427
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| Compound Name |
2-[[2-[4-(2,6-dioxo-1,3-dipropyl-7H-purin-8-yl)phenoxy]acetyl]amino]acetic acid
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| Structure |
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| Formula |
C21H25N5O6
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| Molecular Weight |
443.46
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| Canonical SMILES |
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=O)-c1ccc(OCC(=O)NCC(O)=O)cc1
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| InChI |
InChI=1S/C21H25N5O6/c1-3-9-25-19-17(20(30)26(10-4-2)21(25)31)23-18(24-19)13-5-7-14(8-6-13)32-12-15(27)22-11-16(28)29/h5-8H,3-4,9-12H2,1-2H3,(H,22,27)(H,23,24)(H,28,29)
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| InChIKey |
UJHTWPCTUKHPBY-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