General Information of the Compound
| Compound ID |
CP0458612
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| Compound Name |
(2R)-2-(1-{3,5-dibromo-4-[4-hydroxy-3-(propan-2-yl)phenoxy]phenyl}acetamido)propanoic acid
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| Structure |
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| Formula |
C20H21Br2NO5
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| Molecular Weight |
515.198
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| Canonical SMILES |
CC(C)c1cc(Oc2c(Br)cc(CC(=O)N[C@H](C)C(O)=O)cc2Br)ccc1O
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| InChI |
InChI=1S/C20H21Br2NO5/c1-10(2)14-9-13(4-5-17(14)24)28-19-15(21)6-12(7-16(19)22)8-18(25)23-11(3)20(26)27/h4-7,9-11,24H,8H2,1-3H3,(H,23,25)(H,26,27)/t11-/m1/s1
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| InChIKey |
GJHNXKYHUKQSDL-LLVKDONJSA-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