General Information of the Compound
| Compound ID |
CP0542487
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| Compound Name |
2-(4-chloro-2-methylphenoxy)-2,2-difluoro-N-[(E)-[2-(trifluoromethoxy)phenyl]methylideneamino]acetamide
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| Structure |
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| Formula |
C17H12ClF5N2O3
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| Molecular Weight |
422.737
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| Canonical SMILES |
Cc1cc(Cl)ccc1OC(F)(F)C(=O)N\N=C\c1ccccc1OC(F)(F)F
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| InChI |
InChI=1S/C17H12ClF5N2O3/c1-10-8-12(18)6-7-13(10)27-16(19,20)15(26)25-24-9-11-4-2-3-5-14(11)28-17(21,22)23/h2-9H,1H3,(H,25,26)/b24-9+
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| InChIKey |
HWTGSBKAKAOBNQ-PGGKNCGUSA-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