General Information of the Compound
| Compound ID |
CP0561407
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| Compound Name |
ethyl 2-[2-[(E)-[[2-(4-chloro-2-methylphenoxy)acetyl]hydrazinylidene]methyl]phenoxy]-2-fluoroacetate
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| Structure |
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| Formula |
C20H20ClFN2O5
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| Molecular Weight |
422.84
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| Canonical SMILES |
CCOC(=O)C(F)Oc1ccccc1\C=N\NC(=O)COc1ccc(Cl)cc1C
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| InChI |
InChI=1S/C20H20ClFN2O5/c1-3-27-20(26)19(22)29-17-7-5-4-6-14(17)11-23-24-18(25)12-28-16-9-8-15(21)10-13(16)2/h4-11,19H,3,12H2,1-2H3,(H,24,25)/b23-11+
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| InChIKey |
QKDJIJQJKUDLKI-FOKLQQMPSA-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
Protein ID: PT06716, Anoctamin-1
Protein ID: PT06826, Anoctamin-2