General Information of the Compound
| Compound ID |
CP0299470
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| Compound Name |
4-[Cyclopropylidene-(3,5,5,8,8-pentamethyl-5,6,7,8-tetrahydro-naphthalen-2-yl)-methyl]-benzoic acid
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| Structure |
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| Formula |
C26H30O2
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| Molecular Weight |
374.524
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| Canonical SMILES |
Cc1cc2c(cc1C(=C1CC1)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
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| InChI |
InChI=1S/C26H30O2/c1-16-14-21-22(26(4,5)13-12-25(21,2)3)15-20(16)23(17-6-7-17)18-8-10-19(11-9-18)24(27)28/h8-11,14-15H,6-7,12-13H2,1-5H3,(H,27,28)
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| InChIKey |
BZJCZXWWMFFDGB-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