General Information of the Compound
| Compound ID |
CP0485150
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| Compound Name |
6-(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 |
C26H28N2O4S
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| Molecular Weight |
464.587
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| Canonical SMILES |
CC1(C)CCC(C)(C)c2cc(ccc12)N(c1ccc(cn1)C(O)=O)S(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C26H28N2O4S/c1-25(2)14-15-26(3,4)22-16-19(11-12-21(22)25)28(23-13-10-18(17-27-23)24(29)30)33(31,32)20-8-6-5-7-9-20/h5-13,16-17H,14-15H2,1-4H3,(H,29,30)
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| InChIKey |
MZFSVQPALHYXNW-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