General Information of the Compound
| Compound ID |
CP0457258
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| Compound Name |
3-Chloro-4-hydroxy-benzoic acid [4-(2-methyl-propane-1-sulfonyl)-naphthalen-1-ylmethylene]-hydrazide
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| Structure |
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| Formula |
C22H21ClN2O4S
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| Molecular Weight |
444.94
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| Canonical SMILES |
CC(C)CS(=O)(=O)c1ccc(\C=N\NC(=O)c2ccc(O)c(Cl)c2)c2ccccc12
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| InChI |
InChI=1S/C22H21ClN2O4S/c1-14(2)13-30(28,29)21-10-8-16(17-5-3-4-6-18(17)21)12-24-25-22(27)15-7-9-20(26)19(23)11-15/h3-12,14,26H,13H2,1-2H3,(H,25,27)/b24-12+
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| InChIKey |
YKFWOAOKLHCEAL-WYMPLXKRSA-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