General Information of the Compound
| Compound ID |
CP0919228
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| Compound Name |
N-{4-[(3-Chloro-4-hydroxy-benzoyl)-hydrazonomethyl]-3-methoxy-phenyl}-3-(4-trifluoromethyl-phenyl)-propionamide
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| Structure |
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| Formula |
C25H23ClF3N3O5
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| Molecular Weight |
537.922
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| Canonical SMILES |
COc1cc(NC(=O)CCc2ccc(C(F)(F)F)cc2)ccc1/C=N/NC(=O)c1ccc(O)c(Cl)c1.O
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| InChI |
InChI=1S/C25H21ClF3N3O4.H2O/c1-36-22-13-19(31-23(34)11-4-15-2-7-18(8-3-15)25(27,28)29)9-5-17(22)14-30-32-24(35)16-6-10-21(33)20(26)12-16;/h2-3,5-10,12-14,33H,4,11H2,1H3,(H,31,34)(H,32,35);1H2/b30-14+;
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| InChIKey |
LPOKWOHKOPFSGG-BGOJXXKFSA-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