General Information of the Compound
| Compound ID |
CP0528458
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| Compound Name |
(2S)-2-(1-{3,5-dibromo-4-[4-hydroxy-3-methyl-5-(propan-2-yl)phenoxy]phenyl}acetamido)-3-methylbutanoic acid
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| Structure |
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| Formula |
C23H27Br2NO5
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| Molecular Weight |
557.279
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| Canonical SMILES |
CC(C)[C@H](NC(=O)Cc1cc(Br)c(Oc2cc(C)c(O)c(c2)C(C)C)c(Br)c1)C(O)=O
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| InChI |
InChI=1S/C23H27Br2NO5/c1-11(2)16-10-15(6-13(5)21(16)28)31-22-17(24)7-14(8-18(22)25)9-19(27)26-20(12(3)4)23(29)30/h6-8,10-12,20,28H,9H2,1-5H3,(H,26,27)(H,29,30)/t20-/m0/s1
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| InChIKey |
QIPJDYIHXFNJAE-FQEVSTJZSA-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