General Information of the Compound
| Compound ID |
CP0358493
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| Compound Name |
3-Chloro-4-hydroxy-benzoic acid [1-[4-(4-isopropyl-benzyloxy)-naphthalen-1-yl]-meth-(E)-ylidene]-hydrazide
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| Structure |
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| Formula |
C28H25ClN2O3
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| Molecular Weight |
472.972
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| Canonical SMILES |
CC(C)c1ccc(COc2ccc(\C=N\NC(=O)c3ccc(O)c(Cl)c3)c3ccccc23)cc1
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| InChI |
InChI=1S/C28H25ClN2O3/c1-18(2)20-9-7-19(8-10-20)17-34-27-14-12-22(23-5-3-4-6-24(23)27)16-30-31-28(33)21-11-13-26(32)25(29)15-21/h3-16,18,32H,17H2,1-2H3,(H,31,33)/b30-16+
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| InChIKey |
XENSBHMTRQEVRN-OKCVXOCRSA-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