General Information of the Compound
| Compound ID |
CP0443549
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| Compound Name |
2-[2-hydroxy-5-[[2-(3-methoxyphenyl)acetyl]amino]phenyl]pyridine-4-carboxylic acid
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| Structure |
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| Formula |
C21H18N2O5
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| Molecular Weight |
378.384
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| Canonical SMILES |
COc1cccc(CC(=O)Nc2ccc(O)c(c2)-c2cc(ccn2)C(O)=O)c1
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| InChI |
InChI=1S/C21H18N2O5/c1-28-16-4-2-3-13(9-16)10-20(25)23-15-5-6-19(24)17(12-15)18-11-14(21(26)27)7-8-22-18/h2-9,11-12,24H,10H2,1H3,(H,23,25)(H,26,27)
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| InChIKey |
QSWJSOQQNWMPME-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