General Information of the Compound
| Compound ID |
CP0391322
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| Compound Name |
3-Chloro-4-hydroxy-benzoic acid {4-[2-(2-ethyl-piperidin-1-yl)-2-oxo-ethyl]-naphthalen-1-ylmethylene}-hydrazide
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| Structure |
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| Formula |
C27H28ClN3O3
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| Molecular Weight |
477.992
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| Canonical SMILES |
CCC1CCCCN1C(=O)Cc1ccc(\C=N\NC(=O)c2ccc(O)c(Cl)c2)c2ccccc12
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| InChI |
InChI=1S/C27H28ClN3O3/c1-2-21-7-5-6-14-31(21)26(33)16-18-10-11-20(23-9-4-3-8-22(18)23)17-29-30-27(34)19-12-13-25(32)24(28)15-19/h3-4,8-13,15,17,21,32H,2,5-7,14,16H2,1H3,(H,30,34)/b29-17+
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| InChIKey |
BLTGLSZGVUVZAS-STBIYBPSSA-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