General Information of the Compound
| Compound ID |
CP0492647
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| Compound Name |
(5-Benzyloxy-2-cyano-phenoxy)-o-tolyl-acetic acid
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| Structure |
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| Formula |
C23H19NO4
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| Molecular Weight |
373.408
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| Canonical SMILES |
Cc1ccccc1C(Oc1cc(OCc2ccccc2)ccc1C#N)C(O)=O
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| InChI |
InChI=1S/C23H19NO4/c1-16-7-5-6-10-20(16)22(23(25)26)28-21-13-19(12-11-18(21)14-24)27-15-17-8-3-2-4-9-17/h2-13,22H,15H2,1H3,(H,25,26)
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| InChIKey |
TVGREQQCNWZMLB-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