General Information of the Compound
| Compound ID |
CP0414091
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| Compound Name |
CD-5789
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| Synonyms |
0J8RN2W0HK
3''-Tert-butyl-4'-(2-hydroxyethoxy)-4''-(pyrrolidin-1-yl)(1,1':3',1'')terphenyl-4-carboxylic acid
4-[3-(3-tert-butyl-4-pyrrolidin-1-ylphenyl)-4-(2-hydroxyethoxy)phenyl]benzoic acid
895542-09-3
CD 5789
CD5789
CHEMBL3707313
CS-0018407
DB12808
DTXSID30237781
EX-A2704
GTPL9962
HY-100256
SCHEMBL381493
Trifarotene
Trifarotene [USAN:INN]
UNII-0J8RN2W0HK
[1,1':3',1''-Terphenyl]-4-carboxylic acid, 3''-(1,1-dimethylethyl)-4'-(2-hydroxyethoxy)-4''-(1-pyrrolidinyl)-
compound 15b [PMID: 29706423]
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| Structure |
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| Formula |
C29H33NO4
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| Molecular Weight |
459.586
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| Canonical SMILES |
CC(C)(C)c1cc(ccc1N1CCCC1)-c1cc(ccc1OCCO)-c1ccc(cc1)C(O)=O
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| InChI |
InChI=1S/C29H33NO4/c1-29(2,3)25-19-23(10-12-26(25)30-14-4-5-15-30)24-18-22(11-13-27(24)34-17-16-31)20-6-8-21(9-7-20)28(32)33/h6-13,18-19,31H,4-5,14-17H2,1-3H3,(H,32,33)
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| InChIKey |
MFBCDACCJCDGBA-UHFFFAOYSA-N
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| CAS |
895542-09-3
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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
Clinical Information about the Compound