General Information of the Compound
| Compound ID |
CP0480722
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| Compound Name |
4-[4-(5,5-difluoro-2,3-dimethyl-6,7-dihydro-4H-indol-1-yl)phenyl]butanoic acid
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| Structure |
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| Formula |
C20H23F2NO2
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| Molecular Weight |
347.405
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| Canonical SMILES |
Cc1c(C)n(c2CCC(F)(F)Cc12)-c1ccc(CCCC(O)=O)cc1
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| InChI |
InChI=1S/C20H23F2NO2/c1-13-14(2)23(18-10-11-20(21,22)12-17(13)18)16-8-6-15(7-9-16)4-3-5-19(24)25/h6-9H,3-5,10-12H2,1-2H3,(H,24,25)
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| InChIKey |
KHIVNFYDMJKXOL-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: PT01930, Retinoic acid receptor RXR-alpha
Protein ID: PT01474, Retinoic acid receptor RXR-beta
Protein ID: PT02769, Retinoic acid receptor RXR-gamma