General Information of the Compound
| Compound ID |
CP0512532
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| Compound Name |
3-[4-[2-(2,6-dichloro-3-methylpyridin-4-yl)ethynyl]phenyl]propanoic acid
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| Structure |
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| Formula |
C17H13Cl2NO2
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| Molecular Weight |
334.202
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| Canonical SMILES |
Cc1c(Cl)nc(Cl)cc1C#Cc1ccc(CCC(O)=O)cc1
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| InChI |
InChI=1S/C17H13Cl2NO2/c1-11-14(10-15(18)20-17(11)19)8-6-12-2-4-13(5-3-12)7-9-16(21)22/h2-5,10H,7,9H2,1H3,(H,21,22)
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| InChIKey |
ZBRXZLHQRDGPNZ-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