General Information of the Compound
| Compound ID |
CP0494732
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| Compound Name |
3-Chloro-4-hydroxy-benzoic acid {4-[2-(3,4-dichloro-benzylamino)-ethoxy]-naphthalen-1-ylmethylene}-hydrazide
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| Structure |
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| Formula |
C27H22Cl3N3O3
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| Molecular Weight |
542.85
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| Canonical SMILES |
Oc1ccc(cc1Cl)C(=O)N\N=C\c1ccc(OCCNCc2ccc(Cl)c(Cl)c2)c2ccccc12
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| InChI |
InChI=1S/C27H22Cl3N3O3/c28-22-8-5-17(13-23(22)29)15-31-11-12-36-26-10-7-19(20-3-1-2-4-21(20)26)16-32-33-27(35)18-6-9-25(34)24(30)14-18/h1-10,13-14,16,31,34H,11-12,15H2,(H,33,35)/b32-16+
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| InChIKey |
VJCBDEIIZBFYBN-KPGMTVGESA-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