General Information of the Compound
| Compound ID |
CP0001251
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| Compound Name |
N-[1-(3,5-dimethylbenzoyl)cyclohexyl]-5-methyl-3,4-dihydro-2H-chromene-6-carboxamide
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| Structure |
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| Formula |
C26H31NO3
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| Molecular Weight |
405.538
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| Canonical SMILES |
Cc1cc(C)cc(c1)C(=O)C1(CCCCC1)NC(=O)c1ccc2OCCCc2c1C
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| InChI |
InChI=1S/C26H31NO3/c1-17-14-18(2)16-20(15-17)24(28)26(11-5-4-6-12-26)27-25(29)22-9-10-23-21(19(22)3)8-7-13-30-23/h9-10,14-16H,4-8,11-13H2,1-3H3,(H,27,29)
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| InChIKey |
WWFFMUFUVAQRMJ-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