General Information of the Compound
| Compound ID |
CP0497916
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| Compound Name |
3-Chloro-4-hydroxy-benzoic acid {4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxo-ethoxy]-naphthalen-1-ylmethylene}-hydrazide
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| Structure |
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| Formula |
C29H24ClN3O4
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| Molecular Weight |
513.981
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| Canonical SMILES |
Oc1ccc(cc1Cl)C(=O)N\N=C\c1ccc(OCC(=O)N2CCc3ccccc3C2)c2ccccc12
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| InChI |
InChI=1S/C29H24ClN3O4/c30-25-15-20(9-11-26(25)34)29(36)32-31-16-21-10-12-27(24-8-4-3-7-23(21)24)37-18-28(35)33-14-13-19-5-1-2-6-22(19)17-33/h1-12,15-16,34H,13-14,17-18H2,(H,32,36)/b31-16+
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| InChIKey |
PFRVMXCRMWGHMT-WCMJOSRZSA-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