General Information of the Compound
| Compound ID |
CP0474329
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| Compound Name |
3-[4-[2-(3-benzyl-2-chloropyridin-4-yl)ethynyl]phenyl]propanoic acid
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| Structure |
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| Formula |
C23H18ClNO2
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| Molecular Weight |
375.855
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| Canonical SMILES |
OC(=O)CCc1ccc(cc1)C#Cc1ccnc(Cl)c1Cc1ccccc1
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| InChI |
InChI=1S/C23H18ClNO2/c24-23-21(16-19-4-2-1-3-5-19)20(14-15-25-23)12-10-17-6-8-18(9-7-17)11-13-22(26)27/h1-9,14-15H,11,13,16H2,(H,26,27)
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| InChIKey |
KLPGEXLWBNHHIB-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