General Information of the Compound
| Compound ID |
CP0076765
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| Compound Name |
3-Ethyl-6-hydroxy-2-(4-hydroxy-phenyl)-1H-indene-1-carboxylic acid
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| Structure |
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| Formula |
C18H16O4
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| Molecular Weight |
296.322
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| Canonical SMILES |
CCC1=C(C(C(O)=O)c2cc(O)ccc12)c1ccc(O)cc1
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| InChI |
InChI=1S/C18H16O4/c1-2-13-14-8-7-12(20)9-15(14)17(18(21)22)16(13)10-3-5-11(19)6-4-10/h3-9,17,19-20H,2H2,1H3,(H,21,22)
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| InChIKey |
PNXXOMOIPKFEIY-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
Protein ID: PT00886, Estrogen receptor
Protein ID: PT00889, Estrogen receptor beta