General Information of the Compound
| Compound ID |
CP0523750
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| Compound Name |
2-[4-chloro-2-[2-(4-hexylpyridin-3-yl)ethynyl]phenoxy]acetic acid
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| Structure |
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| Formula |
C21H22ClNO3
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| Molecular Weight |
371.864
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| Canonical SMILES |
CCCCCCc1ccncc1C#Cc1cc(Cl)ccc1OCC(O)=O
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| InChI |
InChI=1S/C21H22ClNO3/c1-2-3-4-5-6-16-11-12-23-14-18(16)8-7-17-13-19(22)9-10-20(17)26-15-21(24)25/h9-14H,2-6,15H2,1H3,(H,24,25)
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| InChIKey |
USAZAELHYDZAMM-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