General Information of the Compound
| Compound ID |
CP0525027
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| Compound Name |
2-[4-chloro-2-[2-(4-methyl-1-oxidopyridin-1-ium-3-yl)ethynyl]phenoxy]acetic acid
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| Structure |
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| Formula |
C16H12ClNO4
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| Molecular Weight |
317.728
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| Canonical SMILES |
Cc1cc[n+]([O-])cc1C#Cc1cc(Cl)ccc1OCC(O)=O
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| InChI |
InChI=1S/C16H12ClNO4/c1-11-6-7-18(21)9-13(11)3-2-12-8-14(17)4-5-15(12)22-10-16(19)20/h4-9H,10H2,1H3,(H,19,20)
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| InChIKey |
BFAWAAIREGIELI-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