General Information of the Compound
| Compound ID |
CP0269118
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| Compound Name |
3-Chloro-4-hydroxy-benzoic acid [1-(4-isopropyl-benzyl)-1H-indol-4-ylmethylene]-hydrazide
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| Structure |
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| Formula |
C26H24ClN3O2
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| Molecular Weight |
445.95
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| Canonical SMILES |
CC(C)c1ccc(Cn2ccc3c(\C=N\NC(=O)c4ccc(O)c(Cl)c4)cccc23)cc1
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| InChI |
InChI=1S/C26H24ClN3O2/c1-17(2)19-8-6-18(7-9-19)16-30-13-12-22-21(4-3-5-24(22)30)15-28-29-26(32)20-10-11-25(31)23(27)14-20/h3-15,17,31H,16H2,1-2H3,(H,29,32)/b28-15+
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| InChIKey |
JJGVEWLQTOEULJ-RWPZCVJISA-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