General Information of the Compound
| Compound ID |
CP0458611
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| Compound Name |
(2S)-2-(1-{3,5-dibromo-4-[4-hydroxy-3-(propan-2-yl)phenoxy]phenyl}acetamido)-2-phenylacetic acid
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| Structure |
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| Formula |
C25H23Br2NO5
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| Molecular Weight |
577.269
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| Canonical SMILES |
CC(C)c1cc(Oc2c(Br)cc(CC(=O)N[C@H](C(O)=O)c3ccccc3)cc2Br)ccc1O
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| InChI |
InChI=1S/C25H23Br2NO5/c1-14(2)18-13-17(8-9-21(18)29)33-24-19(26)10-15(11-20(24)27)12-22(30)28-23(25(31)32)16-6-4-3-5-7-16/h3-11,13-14,23,29H,12H2,1-2H3,(H,28,30)(H,31,32)/t23-/m0/s1
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| InChIKey |
RTHIDWPAXBKXPV-QHCPKHFHSA-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