General Information of the Compound
| Compound ID |
CP0226268
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| Compound Name |
3-cyclohexyl-1-(4-methoxyphenyl)-3-(4-nitroanilino)propan-1-one
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| Structure |
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| Formula |
C22H26N2O4
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| Molecular Weight |
382.46
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| Canonical SMILES |
COc1ccc(cc1)C(=O)CC(Nc1ccc(cc1)[N+]([O-])=O)C1CCCCC1
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| InChI |
InChI=1S/C22H26N2O4/c1-28-20-13-7-17(8-14-20)22(25)15-21(16-5-3-2-4-6-16)23-18-9-11-19(12-10-18)24(26)27/h7-14,16,21,23H,2-6,15H2,1H3
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| InChIKey |
ZZZQZZTYLVXHSC-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