General Information of the Compound
| Compound ID |
CP0394515
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| Compound Name |
4-[4-(4-hydroxybutoxy)-3-(5,5,8,8-tetramethyl-6,7-dihydronaphthalen-2-yl)phenyl]benzoic acid
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| Structure |
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| Formula |
C31H36O4
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| Molecular Weight |
472.625
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| Canonical SMILES |
CC1(C)CCC(C)(C)c2cc(ccc12)-c1cc(ccc1OCCCCO)-c1ccc(cc1)C(O)=O
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| InChI |
InChI=1S/C31H36O4/c1-30(2)15-16-31(3,4)27-20-24(11-13-26(27)30)25-19-23(12-14-28(25)35-18-6-5-17-32)21-7-9-22(10-8-21)29(33)34/h7-14,19-20,32H,5-6,15-18H2,1-4H3,(H,33,34)
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| InChIKey |
RGKOTQUMRCWTMY-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