General Information of the Compound
| Compound ID |
CP0431401
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| Compound Name |
3-Chloro-4-hydroxy-benzoic acid {4-[2-(2-methyl-piperidin-1-yl)-2-oxo-ethyl]-naphthalen-1-ylmethylene}-hydrazide
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| Structure |
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| Formula |
C26H26ClN3O3
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| Molecular Weight |
463.965
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| Canonical SMILES |
CC1CCCCN1C(=O)Cc1ccc(\C=N\NC(=O)c2ccc(O)c(Cl)c2)c2ccccc12
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| InChI |
InChI=1S/C26H26ClN3O3/c1-17-6-4-5-13-30(17)25(32)15-18-9-10-20(22-8-3-2-7-21(18)22)16-28-29-26(33)19-11-12-24(31)23(27)14-19/h2-3,7-12,14,16-17,31H,4-6,13,15H2,1H3,(H,29,33)/b28-16+
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| InChIKey |
WUACEHRKTXWVKL-LQKURTRISA-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