General Information of the Compound
| Compound ID |
CP0476565
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| Compound Name |
2-[1-[(4-hydroxy-3-propan-2-ylphenyl)methyl]-2-methylindol-3-yl]acetic acid
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| Structure |
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| Formula |
C21H23NO3
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| Molecular Weight |
337.419
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| Canonical SMILES |
CC(C)c1cc(Cn2c(C)c(CC(O)=O)c3ccccc23)ccc1O
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| InChI |
InChI=1S/C21H23NO3/c1-13(2)17-10-15(8-9-20(17)23)12-22-14(3)18(11-21(24)25)16-6-4-5-7-19(16)22/h4-10,13,23H,11-12H2,1-3H3,(H,24,25)
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| InChIKey |
KSFDKGYUJXZKTH-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