General Information of the Compound
| Compound ID |
CP0429891
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| Compound Name |
N-[1-(3,5-dimethylbenzoyl)cycloheptyl]-3-methoxy-2-methylbenzamide
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| Structure |
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| Formula |
C25H31NO3
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| Molecular Weight |
393.527
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| Canonical SMILES |
COc1cccc(C(=O)NC2(CCCCCC2)C(=O)c2cc(C)cc(C)c2)c1C
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| InChI |
InChI=1S/C25H31NO3/c1-17-14-18(2)16-20(15-17)23(27)25(12-7-5-6-8-13-25)26-24(28)21-10-9-11-22(29-4)19(21)3/h9-11,14-16H,5-8,12-13H2,1-4H3,(H,26,28)
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| InChIKey |
CBHFZMWINDELST-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