General Information of the Compound
| Compound ID |
CP0658711
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| Compound Name |
4-((2,3-difluorobenzyloxyimino)(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 |
C31H33F2NO4
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| Molecular Weight |
521.604
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| Canonical SMILES |
CCOc1cc2c(cc1/C(=N/OCc1cccc(F)c1F)c1ccc(C(=O)O)cc1)C(C)(C)CCC2(C)C
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| InChI |
InChI=1S/C31H33F2NO4/c1-6-37-26-17-24-23(30(2,3)14-15-31(24,4)5)16-22(26)28(19-10-12-20(13-11-19)29(35)36)34-38-18-21-8-7-9-25(32)27(21)33/h7-13,16-17H,6,14-15,18H2,1-5H3,(H,35,36)/b34-28+
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| InChIKey |
QBHLLFRRSXWSIN-CDSHQWRTSA-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