General Information of the Compound
| Compound ID |
CP0045459
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| Compound Name |
3-Cyano-4-hydroxy-benzoic acid [1-[4-(4-isopropyl-benzyloxy)-3,5-dimethoxy-phenyl]-meth-(E)-ylidene]-hydrazide
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| Structure |
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| Formula |
C27H27N3O5
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| Molecular Weight |
473.529
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| Canonical SMILES |
COc1cc(\C=N\NC(=O)c2ccc(O)c(c2)C#N)cc(OC)c1OCc1ccc(cc1)C(C)C
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| InChI |
InChI=1S/C27H27N3O5/c1-17(2)20-7-5-18(6-8-20)16-35-26-24(33-3)11-19(12-25(26)34-4)15-29-30-27(32)21-9-10-23(31)22(13-21)14-28/h5-13,15,17,31H,16H2,1-4H3,(H,30,32)/b29-15+
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| InChIKey |
TZRBHYBSDPWVRW-WKULSOCRSA-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