General Information of the Compound
| Compound ID |
CP0742222
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| Compound Name |
4'-Methyl-3'-(5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-naphthalen-2-yl)-biphenyl-4-carboxylic acid
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| Structure |
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| Formula |
C28H30O2
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| Molecular Weight |
398.546
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| Canonical SMILES |
Cc1ccc(-c2ccc(C(=O)O)cc2)cc1-c1ccc2c(c1)C(C)(C)CCC2(C)C
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| InChI |
InChI=1S/C28H30O2/c1-18-6-7-21(19-8-10-20(11-9-19)26(29)30)16-23(18)22-12-13-24-25(17-22)28(4,5)15-14-27(24,2)3/h6-13,16-17H,14-15H2,1-5H3,(H,29,30)
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| InChIKey |
CLRWWCPGUDJRNE-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