General Information of the Compound
| Compound ID |
CP0342154
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| Compound Name |
(S,2E,4E)-3-methyl-5-(1-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)pyrrolidin-2-yl)penta-2,4-dienoic acid
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| Structure |
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| Formula |
C24H33NO2
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| Molecular Weight |
367.533
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| Canonical SMILES |
C\C(\C=C\[C@@H]1CCCN1c1ccc2c(c1)C(C)(C)CCC2(C)C)=C/C(O)=O
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| InChI |
InChI=1S/C24H33NO2/c1-17(15-22(26)27)8-9-18-7-6-14-25(18)19-10-11-20-21(16-19)24(4,5)13-12-23(20,2)3/h8-11,15-16,18H,6-7,12-14H2,1-5H3,(H,26,27)/b9-8+,17-15+/t18-/m0/s1
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| InChIKey |
MNVPYFNLMYKEKF-OXBIILCZSA-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