General Information of the Compound
| Compound ID |
CP0392904
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| Compound Name |
3-Chloro-4-hydroxy-benzoic acid {4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-ethoxy]-2-methoxy-benzylidene}-hydrazide
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| Structure |
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| Formula |
C26H26ClN3O4
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| Molecular Weight |
479.964
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| Canonical SMILES |
COc1cc(OCCN2CCc3ccccc3C2)ccc1\C=N\NC(=O)c1ccc(O)c(Cl)c1
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| InChI |
InChI=1S/C26H26ClN3O4/c1-33-25-15-22(34-13-12-30-11-10-18-4-2-3-5-21(18)17-30)8-6-20(25)16-28-29-26(32)19-7-9-24(31)23(27)14-19/h2-9,14-16,31H,10-13,17H2,1H3,(H,29,32)/b28-16+
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| InChIKey |
RHFVMVBXTPEOOD-LQKURTRISA-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