General Information of the Compound
| Compound ID |
CP0414088
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| Compound Name |
4-[3-chloro-4-(2-methoxyethoxymethoxy)-5-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]benzoic acid
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| Structure |
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| Formula |
C31H35ClO5
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| Molecular Weight |
523.069
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| Canonical SMILES |
COCCOCOc1c(Cl)cc(cc1-c1ccc2c(c1)C(C)(C)CCC2(C)C)-c1ccc(cc1)C(O)=O
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| InChI |
InChI=1S/C31H35ClO5/c1-30(2)12-13-31(3,4)26-17-22(10-11-25(26)30)24-16-23(20-6-8-21(9-7-20)29(33)34)18-27(32)28(24)37-19-36-15-14-35-5/h6-11,16-18H,12-15,19H2,1-5H3,(H,33,34)
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| InChIKey |
SLNCTKGASCOEAI-UHFFFAOYSA-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