General Information of the Compound
| Compound ID |
CP0037693
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| Compound Name |
2-(4-((6-chloropyridin-3-yl)methoxy)phenyl)-5,7-dihydroxy-4H-chromen-4-one
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| Structure |
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| Formula |
C21H14ClNO5
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| Molecular Weight |
395.798
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| Canonical SMILES |
Oc1cc(O)c2c(c1)oc(cc2=O)-c1ccc(OCc2ccc(Cl)nc2)cc1
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| InChI |
InChI=1S/C21H14ClNO5/c22-20-6-1-12(10-23-20)11-27-15-4-2-13(3-5-15)18-9-17(26)21-16(25)7-14(24)8-19(21)28-18/h1-10,24-25H,11H2
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| InChIKey |
XUEQPCVMPXPGHK-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