General Information of the Compound
| Compound ID |
CP0502105
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| Compound Name |
3-chloro-4-hydroxy-N-[(E)-[3-methoxy-4-[[3-(trifluoromethyl)phenyl]methoxy]phenyl]methylideneamino]benzamide
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| Structure |
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| Formula |
C23H18ClF3N2O4
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| Molecular Weight |
478.854
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| Canonical SMILES |
COc1cc(\C=N\NC(=O)c2ccc(O)c(Cl)c2)ccc1OCc1cccc(c1)C(F)(F)F
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| InChI |
InChI=1S/C23H18ClF3N2O4/c1-32-21-10-14(12-28-29-22(31)16-6-7-19(30)18(24)11-16)5-8-20(21)33-13-15-3-2-4-17(9-15)23(25,26)27/h2-12,30H,13H2,1H3,(H,29,31)/b28-12+
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| InChIKey |
VLEHNYPRKMRONT-KVSWJAHQSA-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