General Information of the Compound
| Compound ID |
CP0427129
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| Compound Name |
2-[4-(2-ethoxy-6-phenyl-8,9-dihydro-7H-benzo[7]annulen-5-yl)phenoxy]-N,N-dimethylethanamine
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| Structure |
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| Formula |
C29H33NO2
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| Molecular Weight |
427.588
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| Canonical SMILES |
CCOc1ccc2c(CCCC(c3ccccc3)=C2c2ccc(OCCN(C)C)cc2)c1
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| InChI |
InChI=1S/C29H33NO2/c1-4-31-26-17-18-28-24(21-26)11-8-12-27(22-9-6-5-7-10-22)29(28)23-13-15-25(16-14-23)32-20-19-30(2)3/h5-7,9-10,13-18,21H,4,8,11-12,19-20H2,1-3H3
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| InChIKey |
JWCHTSQNORXYQJ-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