General Information of the Compound
| Compound ID |
CP0422219
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| Compound Name |
(E)-3-[1-(4-tert-butylphenyl)-2,5-dimethylpyrrol-3-yl]prop-2-enoic acid
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| Structure |
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| Formula |
C19H23NO2
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| Molecular Weight |
297.398
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| Canonical SMILES |
Cc1cc(\C=C\C(O)=O)c(C)n1-c1ccc(cc1)C(C)(C)C
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| InChI |
InChI=1S/C19H23NO2/c1-13-12-15(6-11-18(21)22)14(2)20(13)17-9-7-16(8-10-17)19(3,4)5/h6-12H,1-5H3,(H,21,22)/b11-6+
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| InChIKey |
SQSSNDLMMQDSMJ-IZZDOVSWSA-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: PT01286, Bile acid receptor
Protein ID: PT01930, Retinoic acid receptor RXR-alpha