General Information of the Compound
| Compound ID |
CP0658707
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| Compound Name |
4-((2-(2,5-difluorophenyl)hydrazono)(3-ethoxy-5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)methyl)benzoic acid
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| Structure |
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| Formula |
C30H32F2N2O3
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| Molecular Weight |
506.593
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| Canonical SMILES |
CCOc1cc2c(cc1/C(=N/Nc1cc(F)ccc1F)c1ccc(C(=O)O)cc1)C(C)(C)CCC2(C)C
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| InChI |
InChI=1S/C30H32F2N2O3/c1-6-37-26-17-23-22(29(2,3)13-14-30(23,4)5)16-21(26)27(18-7-9-19(10-8-18)28(35)36)34-33-25-15-20(31)11-12-24(25)32/h7-12,15-17,33H,6,13-14H2,1-5H3,(H,35,36)/b34-27+
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| InChIKey |
FIQZCBMVKDIQIM-DNGXXSEMSA-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