General Information of the Compound
| Compound ID |
CP0888516
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| Compound Name |
4''-(acetylethylamino)-3''-tert-butyl-4'-(4-hydroxybutoxy)-[1,1';3',1'']terphenyl-4-carboxylic acid
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| Structure |
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| Formula |
C31H37NO5
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| Molecular Weight |
503.639
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| Canonical SMILES |
CCN(C(C)=O)c1ccc(-c2cc(-c3ccc(C(=O)O)cc3)ccc2OCCCCO)cc1C(C)(C)C
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| InChI |
InChI=1S/C31H37NO5/c1-6-32(21(2)34)28-15-13-25(20-27(28)31(3,4)5)26-19-24(14-16-29(26)37-18-8-7-17-33)22-9-11-23(12-10-22)30(35)36/h9-16,19-20,33H,6-8,17-18H2,1-5H3,(H,35,36)
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| InChIKey |
LRWOHFGXGXXCBZ-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: PT01475, Retinoic acid receptor alpha
Protein ID: PT01452, Retinoic acid receptor beta
Protein ID: PT01806, Retinoic acid receptor gamma