General Information of the Compound
| Compound ID |
CP0437094
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| Compound Name |
5-Ethyl-2,3-dihydro-benzo[1,4]dioxine-6-carboxylic acid [1-(3,5-dimethyl-benzoyl)-cyclohexyl]-amide
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| Structure |
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| Formula |
C26H31NO4
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| Molecular Weight |
421.537
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| Canonical SMILES |
CCc1c2OCCOc2ccc1C(=O)NC1(CCCCC1)C(=O)c1cc(C)cc(C)c1
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| InChI |
InChI=1S/C26H31NO4/c1-4-20-21(8-9-22-23(20)31-13-12-30-22)25(29)27-26(10-6-5-7-11-26)24(28)19-15-17(2)14-18(3)16-19/h8-9,14-16H,4-7,10-13H2,1-3H3,(H,27,29)
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| InChIKey |
PXZUFZXCCVLGIP-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: PT00618, Ecdysone receptor
Protein ID: PT06098, Ecdysone receptor