General Information of the Compound
| Compound ID |
CP0509023
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| Compound Name |
6-(N-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)butylsulfonamido)nicotinic acid
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| Structure |
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| Formula |
C24H32N2O4S
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| Molecular Weight |
444.597
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| Canonical SMILES |
CCCCS(=O)(=O)N(c1ccc2c(c1)C(C)(C)CCC2(C)C)c1ccc(cn1)C(O)=O
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| InChI |
InChI=1S/C24H32N2O4S/c1-6-7-14-31(29,30)26(21-11-8-17(16-25-21)22(27)28)18-9-10-19-20(15-18)24(4,5)13-12-23(19,2)3/h8-11,15-16H,6-7,12-14H2,1-5H3,(H,27,28)
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| InChIKey |
CIDVOOAPBDZJDX-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