General Information of the Compound
| Compound ID |
CP0467361
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| Compound Name |
3-Chloro-4-hydroxy-benzoic acid {2-methoxy-4-[2-(4-trifluoromethyl-benzylamino)-ethoxy]-benzylidene}-hydrazide
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| Structure |
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| Formula |
C25H23ClF3N3O4
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| Molecular Weight |
521.923
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| Canonical SMILES |
COc1cc(OCCNCc2ccc(cc2)C(F)(F)F)ccc1\C=N\NC(=O)c1ccc(O)c(Cl)c1
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| InChI |
InChI=1S/C25H23ClF3N3O4/c1-35-23-13-20(36-11-10-30-14-16-2-6-19(7-3-16)25(27,28)29)8-4-18(23)15-31-32-24(34)17-5-9-22(33)21(26)12-17/h2-9,12-13,15,30,33H,10-11,14H2,1H3,(H,32,34)/b31-15+
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| InChIKey |
LADMDFGUJJHXOE-IBBHUPRXSA-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