General Information of the Compound
| Compound ID |
CP0012429
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| Compound Name |
N-[3-(3,5-dimethylbenzoyl)pentan-3-yl]-5-methyl-3,4-dihydro-2H-chromene-6-carboxamide
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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 |
CCC(CC)(NC(=O)c1ccc2OCCCc2c1C)C(=O)c1cc(C)cc(C)c1
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| InChI |
InChI=1S/C25H31NO3/c1-6-25(7-2,23(27)19-14-16(3)13-17(4)15-19)26-24(28)21-10-11-22-20(18(21)5)9-8-12-29-22/h10-11,13-15H,6-9,12H2,1-5H3,(H,26,28)
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| InChIKey |
UPOFHUGBBSWKSH-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: PT00632, Ecdysone receptor
Protein ID: PT06098, Ecdysone receptor