General Information of the Compound
| Compound ID |
CP0530907
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| Compound Name |
N-[[6-[chloro(difluoro)methyl]-2-(3,5-dimethylpiperidin-1-yl)pyridin-3-yl]methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
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| Structure |
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| Formula |
C24H30ClF3N4O3S
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| Molecular Weight |
547.043
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| Canonical SMILES |
CC(C(=O)NCc1ccc(nc1N1CC(C)CC(C)C1)C(F)(F)Cl)c1ccc(NS(C)(=O)=O)c(F)c1
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| InChI |
InChI=1S/C24H30ClF3N4O3S/c1-14-9-15(2)13-32(12-14)22-18(6-8-21(30-22)24(25,27)28)11-29-23(33)16(3)17-5-7-20(19(26)10-17)31-36(4,34)35/h5-8,10,14-16,31H,9,11-13H2,1-4H3,(H,29,33)
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| InChIKey |
NSZSMGKDRBJQGV-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