General Information of the Compound
| Compound ID |
CP0648950
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| Compound Name |
4-[6-(5,5,8,8-Tetramethyl-5,6,7,8-tetrahydro-naphthalen-2-yl)-pyridin-2-yl]-benzoic acid
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| Structure |
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| Formula |
C26H27NO2
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| Molecular Weight |
385.507
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| Canonical SMILES |
CC1(C)CCC(C)(C)c2cc(-c3cccc(-c4ccc(C(=O)O)cc4)n3)ccc21
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| InChI |
InChI=1S/C26H27NO2/c1-25(2)14-15-26(3,4)21-16-19(12-13-20(21)25)23-7-5-6-22(27-23)17-8-10-18(11-9-17)24(28)29/h5-13,16H,14-15H2,1-4H3,(H,28,29)
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| InChIKey |
WVHLPGUOXHALCP-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
Protein ID: PT01930, Retinoic acid receptor RXR-alpha