General Information of the Compound
| Compound ID |
CP0296657
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| Compound Name |
4-[[(E)-2-Amino-ethoxyimino]-(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 |
C25H32N2O3
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| Molecular Weight |
408.542
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| Canonical SMILES |
Cc1cc2c(cc1\C(=N\OCCN)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
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| InChI |
InChI=1S/C25H32N2O3/c1-16-14-20-21(25(4,5)11-10-24(20,2)3)15-19(16)22(27-30-13-12-26)17-6-8-18(9-7-17)23(28)29/h6-9,14-15H,10-13,26H2,1-5H3,(H,28,29)/b27-22+
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| InChIKey |
OTHOZFHNKHDIEE-HPNDGRJYSA-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