General Information of the Compound
| Compound ID |
CP0853129
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| Compound Name |
4-((3-ethoxy-5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)(isopentyloxyimino)methyl)benzoic acid
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| Structure |
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| Formula |
C29H39NO4
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| Molecular Weight |
465.634
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| Canonical SMILES |
CCOc1cc2c(cc1/C(=N/OCCC(C)C)c1ccc(C(=O)O)cc1)C(C)(C)CCC2(C)C
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| InChI |
InChI=1S/C29H39NO4/c1-8-33-25-18-24-23(28(4,5)14-15-29(24,6)7)17-22(25)26(30-34-16-13-19(2)3)20-9-11-21(12-10-20)27(31)32/h9-12,17-19H,8,13-16H2,1-7H3,(H,31,32)/b30-26+
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| InChIKey |
YDBKFMXGRBZHFV-URGPHPNLSA-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