General Information of the Compound
| Compound ID |
CP0495936
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| Compound Name |
2-[4-chloro-2-[2-[3-(dimethylcarbamoyl)phenyl]ethynyl]phenoxy]acetic acid
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| Structure |
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| Formula |
C19H16ClNO4
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| Molecular Weight |
357.793
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| Canonical SMILES |
CN(C)C(=O)c1cccc(c1)C#Cc1cc(Cl)ccc1OCC(O)=O
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| InChI |
InChI=1S/C19H16ClNO4/c1-21(2)19(24)15-5-3-4-13(10-15)6-7-14-11-16(20)8-9-17(14)25-12-18(22)23/h3-5,8-11H,12H2,1-2H3,(H,22,23)
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| InChIKey |
CXNWMDBTFFNDFI-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