General Information of the Compound
| Compound ID |
CP0562824
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| Compound Name |
(E)-3-[4-[(E)-1-(1H-indol-2-yl)-2-(3-methylphenyl)but-1-enyl]phenyl]prop-2-enoic acid
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| Structure |
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| Formula |
C28H25NO2
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| Molecular Weight |
407.513
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| Canonical SMILES |
CC\C(=C(/c1cc2ccccc2[nH]1)c1ccc(\C=C\C(O)=O)cc1)c1cccc(C)c1
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| InChI |
InChI=1S/C28H25NO2/c1-3-24(22-9-6-7-19(2)17-22)28(26-18-23-8-4-5-10-25(23)29-26)21-14-11-20(12-15-21)13-16-27(30)31/h4-18,29H,3H2,1-2H3,(H,30,31)/b16-13+,28-24+
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| InChIKey |
LRISQOXBBKYGDA-CFQVQCHBSA-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
Protein ID: PT00886, Estrogen receptor
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000083 | MCF-7 | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 140 nM
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