General Information of the Compound
| Compound ID |
CP0430327
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| Compound Name |
N-[4-(3,5-dimethylbenzoyl)thian-4-yl]-3-methoxy-2-methylbenzamide
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| Structure |
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| Formula |
C23H27NO3S
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| Molecular Weight |
397.54
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| Canonical SMILES |
COc1cccc(C(=O)NC2(CCSCC2)C(=O)c2cc(C)cc(C)c2)c1C
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| InChI |
InChI=1S/C23H27NO3S/c1-15-12-16(2)14-18(13-15)21(25)23(8-10-28-11-9-23)24-22(26)19-6-5-7-20(27-4)17(19)3/h5-7,12-14H,8-11H2,1-4H3,(H,24,26)
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| InChIKey |
KDJYQHKQLPMHPG-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: PT06098, Ecdysone receptor
Protein ID: PT00618, Ecdysone receptor