General Information of the Compound
| Compound ID |
CP0441773
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| Compound Name |
N-[[2-(4-benzylpiperidin-1-yl)-4-methyl-6-(trifluoromethyl)pyridin-3-yl]methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
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| Structure |
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| Formula |
C30H34F4N4O3S
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| Molecular Weight |
606.686
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| Canonical SMILES |
CC(C(=O)NCc1c(C)cc(nc1N1CCC(Cc2ccccc2)CC1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1
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| InChI |
InChI=1S/C30H34F4N4O3S/c1-19-15-27(30(32,33)34)36-28(38-13-11-22(12-14-38)16-21-7-5-4-6-8-21)24(19)18-35-29(39)20(2)23-9-10-26(25(31)17-23)37-42(3,40)41/h4-10,15,17,20,22,37H,11-14,16,18H2,1-3H3,(H,35,39)
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| InChIKey |
BTHOPMBHGBPNCU-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