General Information of the Compound
| Compound ID |
CP0484561
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| Compound Name |
2-[2-[2-(2-chlorophenyl)ethynyl]-4-cyanophenoxy]acetic acid
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| Structure |
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| Formula |
C17H10ClNO3
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| Molecular Weight |
311.724
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| Canonical SMILES |
OC(=O)COc1ccc(cc1C#Cc1ccccc1Cl)C#N
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| InChI |
InChI=1S/C17H10ClNO3/c18-15-4-2-1-3-13(15)6-7-14-9-12(10-19)5-8-16(14)22-11-17(20)21/h1-5,8-9H,11H2,(H,20,21)
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| InChIKey |
SFDSADNCCNBSRH-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