General Information of the Compound
| Compound ID |
CP0851274
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| Compound Name |
3''-tert-butyl-4''-ethylamino-4'-(3-hydroxypropoxy)-[1,1';3',1'']terphenyl-4-carboxylic acid
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| Structure |
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| Formula |
C28H33NO4
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| Molecular Weight |
447.575
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| Canonical SMILES |
CCNc1ccc(-c2cc(-c3ccc(C(=O)O)cc3)ccc2OCCCO)cc1C(C)(C)C
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| InChI |
InChI=1S/C28H33NO4/c1-5-29-25-13-11-22(18-24(25)28(2,3)4)23-17-21(12-14-26(23)33-16-6-15-30)19-7-9-20(10-8-19)27(31)32/h7-14,17-18,29-30H,5-6,15-16H2,1-4H3,(H,31,32)
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| InChIKey |
DPLVJXMWFYWKAU-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