General Information of the Compound
| Compound ID |
CP0231108
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| Compound Name |
4-[[(E)-tert-Butoxyimino]-(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 |
C27H35NO3
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| Molecular Weight |
421.581
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| Canonical SMILES |
Cc1cc2c(cc1\C(=N\OC(C)(C)C)c1ccc(cc1)C(O)=O)C(C)(C)CCC2(C)C
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| InChI |
InChI=1S/C27H35NO3/c1-17-15-21-22(27(7,8)14-13-26(21,5)6)16-20(17)23(28-31-25(2,3)4)18-9-11-19(12-10-18)24(29)30/h9-12,15-16H,13-14H2,1-8H3,(H,29,30)/b28-23+
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| InChIKey |
IRYDQALSBKMVMT-WEMUOSSPSA-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