General Information of the Compound
| Compound ID |
CP0447781
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| Compound Name |
4-[4-(4-hydroxybutoxy)-3-[4-pyrrolidin-1-yl-3-(trifluoromethyl)phenyl]phenyl]benzoic acid
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| Structure |
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| Formula |
C28H28F3NO4
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| Molecular Weight |
499.529
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| Canonical SMILES |
OCCCCOc1ccc(cc1-c1ccc(N2CCCC2)c(c1)C(F)(F)F)-c1ccc(cc1)C(O)=O
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| InChI |
InChI=1S/C28H28F3NO4/c29-28(30,31)24-18-22(9-11-25(24)32-13-1-2-14-32)23-17-21(10-12-26(23)36-16-4-3-15-33)19-5-7-20(8-6-19)27(34)35/h5-12,17-18,33H,1-4,13-16H2,(H,34,35)
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| InChIKey |
FCKTUZDSGYGGDB-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