General Information of the Compound
| Compound ID |
CP0415392
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| Compound Name |
3-Chloro-4-hydroxy-benzoic acid {3-chloro-4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-ethoxy]-5-methoxy-benzylidene}-hydrazide
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| Structure |
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| Formula |
C26H25Cl2N3O4
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| Molecular Weight |
514.409
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| Canonical SMILES |
COc1cc(\C=N\NC(=O)c2ccc(O)c(Cl)c2)cc(Cl)c1OCCN1CCc2ccccc2C1
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| InChI |
InChI=1S/C26H25Cl2N3O4/c1-34-24-13-17(15-29-30-26(33)19-6-7-23(32)21(27)14-19)12-22(28)25(24)35-11-10-31-9-8-18-4-2-3-5-20(18)16-31/h2-7,12-15,32H,8-11,16H2,1H3,(H,30,33)/b29-15+
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| InChIKey |
JTGPVPLLDRCVSR-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