General Information of the Compound
| Compound ID |
CP0441222
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| Compound Name |
2-[4-(6-oxo-1,3-dipropyl-2-sulfanylidene-7H-purin-8-yl)phenoxy]acetic acid
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| Structure |
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| Formula |
C19H22N4O4S
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| Molecular Weight |
402.476
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| Canonical SMILES |
CCCn1c2nc([nH]c2c(=O)n(CCC)c1=S)-c1ccc(OCC(O)=O)cc1
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| InChI |
InChI=1S/C19H22N4O4S/c1-3-9-22-17-15(18(26)23(10-4-2)19(22)28)20-16(21-17)12-5-7-13(8-6-12)27-11-14(24)25/h5-8H,3-4,9-11H2,1-2H3,(H,20,21)(H,24,25)
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| InChIKey |
JHVFLPCAJIBEML-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