General Information of the Compound
| Compound ID |
CP0427130
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| Compound Name |
4-[2-[2-(dimethylamino)ethoxy]-6-phenyl-8,9-dihydro-7H-benzo[7]annulen-5-yl]phenol
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| Structure |
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| Formula |
C27H29NO2
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| Molecular Weight |
399.534
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| Canonical SMILES |
CN(C)CCOc1ccc2c(CCCC(c3ccccc3)=C2c2ccc(O)cc2)c1
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| InChI |
InChI=1S/C27H29NO2/c1-28(2)17-18-30-24-15-16-26-22(19-24)9-6-10-25(20-7-4-3-5-8-20)27(26)21-11-13-23(29)14-12-21/h3-5,7-8,11-16,19,29H,6,9-10,17-18H2,1-2H3
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| InChIKey |
XILXHFIVXUTXFG-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