General Information of the Compound
| Compound ID |
CP0568410
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| Compound Name |
(E)-3-[4-[(E)-2-(2-chloro-4-fluorophenyl)-1-(1H-indol-2-yl)but-1-enyl]phenyl]prop-2-enoic acid
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| Structure |
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| Formula |
C27H21ClFNO2
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| Molecular Weight |
445.921
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| Canonical SMILES |
CC\C(=C(/c1cc2ccccc2[nH]1)c1ccc(\C=C\C(O)=O)cc1)c1ccc(F)cc1Cl
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| InChI |
InChI=1S/C27H21ClFNO2/c1-2-21(22-13-12-20(29)16-23(22)28)27(25-15-19-5-3-4-6-24(19)30-25)18-10-7-17(8-11-18)9-14-26(31)32/h3-16,30H,2H2,1H3,(H,31,32)/b14-9+,27-21+
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| InChIKey |
FZZAJAZRYHASSH-USYAYNFISA-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 = 39 nM
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