General Information of the Compound
| Compound ID |
CP0742480
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| Compound Name |
4'-Methyl-3'-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydro-naphthalen-2-yl)-biphenyl-4-carboxylic acid
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| Structure |
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| Formula |
C29H32O2
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| Molecular Weight |
412.573
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| Canonical SMILES |
Cc1ccc(-c2ccc(C(=O)O)cc2)cc1-c1cc2c(cc1C)C(C)(C)CCC2(C)C
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| InChI |
InChI=1S/C29H32O2/c1-18-7-8-22(20-9-11-21(12-10-20)27(30)31)16-23(18)24-17-26-25(15-19(24)2)28(3,4)13-14-29(26,5)6/h7-12,15-17H,13-14H2,1-6H3,(H,30,31)
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| InChIKey |
CCGXUTGFPUFBMA-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