General Information of the Compound
| Compound ID |
CP0514590
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| Compound Name |
3-Chloro-4-hydroxy-benzoic acid {4-[2-(2-trifluoromethoxy-benzylamino)-ethoxy]-naphthalen-1-ylmethylene}-hydrazide
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| Structure |
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| Formula |
C28H23ClF3N3O4
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| Molecular Weight |
557.956
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| Canonical SMILES |
Oc1ccc(cc1Cl)C(=O)N\N=C\c1ccc(OCCNCc2ccccc2OC(F)(F)F)c2ccccc12
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| InChI |
InChI=1S/C28H23ClF3N3O4/c29-23-15-18(9-11-24(23)36)27(37)35-34-17-19-10-12-26(22-7-3-2-6-21(19)22)38-14-13-33-16-20-5-1-4-8-25(20)39-28(30,31)32/h1-12,15,17,33,36H,13-14,16H2,(H,35,37)/b34-17+
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| InChIKey |
HUVMPTHJUQTNPP-KVAAJVFYSA-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