General Information of the Compound
| Compound ID |
CP0280338
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| Compound Name |
3-Ethyl-6-hydroxy-2-(4-hydroxy-phenyl)-1H-indene-1-carboxylic acid [4-(2-dimethylamino-ethoxy)-phenyl]-amide
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| Structure |
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| Formula |
C28H30N2O4
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| Molecular Weight |
458.558
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| Canonical SMILES |
CCC1=C(C(C(=O)Nc2ccc(OCCN(C)C)cc2)c2cc(O)ccc12)c1ccc(O)cc1
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| InChI |
InChI=1S/C28H30N2O4/c1-4-23-24-14-11-21(32)17-25(24)27(26(23)18-5-9-20(31)10-6-18)28(33)29-19-7-12-22(13-8-19)34-16-15-30(2)3/h5-14,17,27,31-32H,4,15-16H2,1-3H3,(H,29,33)
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| InChIKey |
IQOBSXIQYZEGIX-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