General Information of the Compound
| Compound ID |
CP0506397
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| Compound Name |
N-[1-(3,5-dimethylphenyl)-2-methyl-1-oxopropan-2-yl]-3-methoxy-2-methylbenzamide
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| Structure |
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| Formula |
C21H25NO3
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| Molecular Weight |
339.435
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| Canonical SMILES |
COc1cccc(C(=O)NC(C)(C)C(=O)c2cc(C)cc(C)c2)c1C
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| InChI |
InChI=1S/C21H25NO3/c1-13-10-14(2)12-16(11-13)19(23)21(4,5)22-20(24)17-8-7-9-18(25-6)15(17)3/h7-12H,1-6H3,(H,22,24)
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| InChIKey |
AFSVPYPCRAVDNX-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