General Information of the Compound
| Compound ID |
CP0509097
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| Compound Name |
N-[[2-[4-(4-fluorobenzoyl)piperidin-1-yl]-6-(trifluoromethyl)pyridin-3-yl]methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
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| Structure |
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| Formula |
C29H29F5N4O4S
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| Molecular Weight |
624.632
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| Canonical SMILES |
CC(C(=O)NCc1ccc(nc1N1CCC(CC1)C(=O)c1ccc(F)cc1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1
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| InChI |
InChI=1S/C29H29F5N4O4S/c1-17(20-5-9-24(23(31)15-20)37-43(2,41)42)28(40)35-16-21-6-10-25(29(32,33)34)36-27(21)38-13-11-19(12-14-38)26(39)18-3-7-22(30)8-4-18/h3-10,15,17,19,37H,11-14,16H2,1-2H3,(H,35,40)
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| InChIKey |
SABXAYNLEVUPEM-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