General Information of the Compound
| Compound ID |
CP0485149
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| Compound Name |
6-(4-methoxy-N-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydronaphthalen-2-yl)phenylsulfonamido)nicotinic acid
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| Structure |
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| Formula |
C27H30N2O5S
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| Molecular Weight |
494.613
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| Canonical SMILES |
COc1ccc(cc1)S(=O)(=O)N(c1ccc2c(c1)C(C)(C)CCC2(C)C)c1ccc(cn1)C(O)=O
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| InChI |
InChI=1S/C27H30N2O5S/c1-26(2)14-15-27(3,4)23-16-19(7-12-22(23)26)29(24-13-6-18(17-28-24)25(30)31)35(32,33)21-10-8-20(34-5)9-11-21/h6-13,16-17H,14-15H2,1-5H3,(H,30,31)
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| InChIKey |
GLIAUYWGMWDHTB-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