General Information of the Compound
| Compound ID |
CP0427150
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| Compound Name |
2-[4-chloro-2-[2-(4-propylpyridin-3-yl)ethynyl]phenoxy]acetic acid
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| Structure |
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| Formula |
C18H16ClNO3
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| Molecular Weight |
329.783
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| Canonical SMILES |
CCCc1ccncc1C#Cc1cc(Cl)ccc1OCC(O)=O
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| InChI |
InChI=1S/C18H16ClNO3/c1-2-3-13-8-9-20-11-15(13)5-4-14-10-16(19)6-7-17(14)23-12-18(21)22/h6-11H,2-3,12H2,1H3,(H,21,22)
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| InChIKey |
UQFPRGCRVZIQJL-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