General Information of the Compound
| Compound ID |
CP0302561
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| Compound Name |
(E)-3-[4-[(7-hydroxy-2-oxo-3-phenylchromen-4-yl)methyl]phenyl]prop-2-enoic acid
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| Structure |
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| Formula |
C25H18O5
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| Molecular Weight |
398.414
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| Canonical SMILES |
OC(=O)\C=C\c1ccc(Cc2c(-c3ccccc3)c(=O)oc3cc(O)ccc23)cc1
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| InChI |
InChI=1S/C25H18O5/c26-19-11-12-20-21(14-17-8-6-16(7-9-17)10-13-23(27)28)24(18-4-2-1-3-5-18)25(29)30-22(20)15-19/h1-13,15,26H,14H2,(H,27,28)/b13-10+
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| InChIKey |
YGKGINZAHYHTNB-JLHYYAGUSA-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 |
EC50 = 260 nM
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TI
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LO
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