General Information of the Compound
| Compound ID |
CP0741143
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| Compound Name |
4-{(3-Bromo-5,5,8,8-tetramethyl-5,6,7,8-tetrahydro-naphthalen-2-yl)-[(E)-hydroxyimino]-methyl}-benzoic acid
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| Structure |
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| Formula |
C22H24BrNO3
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| Molecular Weight |
430.342
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| Canonical SMILES |
CC1(C)CCC(C)(C)c2cc(/C(=N/O)c3ccc(C(=O)O)cc3)c(Br)cc21
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| InChI |
InChI=1S/C22H24BrNO3/c1-21(2)9-10-22(3,4)17-12-18(23)15(11-16(17)21)19(24-27)13-5-7-14(8-6-13)20(25)26/h5-8,11-12,27H,9-10H2,1-4H3,(H,25,26)/b24-19+
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| InChIKey |
FBJUMKRFTWRRAE-LYBHJNIJSA-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