General Information of the Compound
| Compound ID |
CP0414089
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| Compound Name |
4-[4-(2-methoxyethoxymethoxy)-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]-3-methylbenzoic acid
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| Structure |
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| Formula |
C32H38O5
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| Molecular Weight |
502.651
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| Canonical SMILES |
COCCOCOc1ccc(cc1-c1ccc2c(c1)C(C)(C)CCC2(C)C)-c1ccc(cc1C)C(O)=O
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| InChI |
InChI=1S/C32H38O5/c1-21-17-24(30(33)34)7-10-25(21)22-9-12-29(37-20-36-16-15-35-6)26(18-22)23-8-11-27-28(19-23)32(4,5)14-13-31(27,2)3/h7-12,17-19H,13-16,20H2,1-6H3,(H,33,34)
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| InChIKey |
IFUOBHMVWSKKKO-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