General Information of the Compound
| Compound ID |
CP0377417
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| Compound Name |
2-[5-(1,3-benzodioxol-5-ylmethoxy)-2-cyanophenoxy]-2-(2-chlorophenyl)acetic acid
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| Structure |
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| Formula |
C23H16ClNO6
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| Molecular Weight |
437.835
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| Canonical SMILES |
OC(=O)C(Oc1cc(OCc2ccc3OCOc3c2)ccc1C#N)c1ccccc1Cl
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| InChI |
InChI=1S/C23H16ClNO6/c24-18-4-2-1-3-17(18)22(23(26)27)31-20-10-16(7-6-15(20)11-25)28-12-14-5-8-19-21(9-14)30-13-29-19/h1-10,22H,12-13H2,(H,26,27)
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| InChIKey |
JVABDLCJTCTTMD-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