General Information of the Compound
| Compound ID |
CP0519833
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| Compound Name |
N-[[4-(cyclopropylmethylsulfonyl)phenyl]-(2-methyl-2-azabicyclo[2.2.2]octan-1-yl)methyl]-2,6-dimethylbenzamide
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| Structure |
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| Formula |
C28H36N2O3S
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| Molecular Weight |
480.674
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| Canonical SMILES |
CN1CC2CCC1(CC2)C(NC(=O)c1c(C)cccc1C)c1ccc(cc1)S(=O)(=O)CC1CC1
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| InChI |
InChI=1S/C28H36N2O3S/c1-19-5-4-6-20(2)25(19)27(31)29-26(28-15-13-21(14-16-28)17-30(28)3)23-9-11-24(12-10-23)34(32,33)18-22-7-8-22/h4-6,9-12,21-22,26H,7-8,13-18H2,1-3H3,(H,29,31)
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| InChIKey |
CKKMZLAQPYMGKP-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