General Information of the Compound
| Compound ID |
CP0538539
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| Compound Name |
3-chloro-4-hydroxy-N-[(E)-[3-[[3-(trifluoromethyl)phenoxy]methyl]phenyl]methylideneamino]benzamide
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| Structure |
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| Formula |
C22H16ClF3N2O3
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| Molecular Weight |
448.828
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| Canonical SMILES |
Oc1ccc(cc1Cl)C(=O)N\N=C\c1cccc(COc2cccc(c2)C(F)(F)F)c1
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| InChI |
InChI=1S/C22H16ClF3N2O3/c23-19-10-16(7-8-20(19)29)21(30)28-27-12-14-3-1-4-15(9-14)13-31-18-6-2-5-17(11-18)22(24,25)26/h1-12,29H,13H2,(H,28,30)/b27-12+
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| InChIKey |
XHEJUHVQQWJXHM-KKMKTNMSSA-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