General Information of the Compound
| Compound ID |
CP0434329
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| Compound Name |
2-(1-{3,5-dibromo-4-[4-hydroxy-3-(propan-2-yl)phenoxy]phenyl}acetamido)acetic acid
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| Structure |
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| Formula |
C19H19Br2NO5
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| Molecular Weight |
501.171
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| Canonical SMILES |
CC(C)c1cc(Oc2c(Br)cc(CC(=O)NCC(O)=O)cc2Br)ccc1O
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| InChI |
InChI=1S/C19H19Br2NO5/c1-10(2)13-8-12(3-4-16(13)23)27-19-14(20)5-11(6-15(19)21)7-17(24)22-9-18(25)26/h3-6,8,10,23H,7,9H2,1-2H3,(H,22,24)(H,25,26)
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| InChIKey |
BNNHEVBGBFFKOC-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: PT01591, Thyroid hormone receptor alpha
Protein ID: PT01018, Thyroid hormone receptor beta