General Information of the Compound
| Compound ID |
CP0414828
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| Compound Name |
3-Chloro-4-hydroxy-benzoic acid {4-[2-(4-methyl-piperazin-1-yl)-2-oxo-ethyl]-naphthalen-1-ylmethylene}-hydrazide
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| Structure |
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| Formula |
C25H25ClN4O3
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| Molecular Weight |
464.953
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| Canonical SMILES |
CN1CCN(CC1)C(=O)Cc1ccc(\C=N\NC(=O)c2ccc(O)c(Cl)c2)c2ccccc12
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| InChI |
InChI=1S/C25H25ClN4O3/c1-29-10-12-30(13-11-29)24(32)15-17-6-7-19(21-5-3-2-4-20(17)21)16-27-28-25(33)18-8-9-23(31)22(26)14-18/h2-9,14,16,31H,10-13,15H2,1H3,(H,28,33)/b27-16+
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| InChIKey |
CNUIXOCMLDKREG-JVWAILMASA-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