General Information of the Compound
| Compound ID |
CP0539587
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| Compound Name |
N-[(6-cyclopropyl-2-piperidin-1-ylpyridin-3-yl)methyl]-2-[3-fluoro-4-(methanesulfonamido)phenyl]propanamide
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| Structure |
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| Formula |
C24H31FN4O3S
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| Molecular Weight |
474.602
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| Canonical SMILES |
CC(C(=O)NCc1ccc(nc1N1CCCCC1)C1CC1)c1ccc(NS(C)(=O)=O)c(F)c1
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| InChI |
InChI=1S/C24H31FN4O3S/c1-16(18-8-11-22(20(25)14-18)28-33(2,31)32)24(30)26-15-19-9-10-21(17-6-7-17)27-23(19)29-12-4-3-5-13-29/h8-11,14,16-17,28H,3-7,12-13,15H2,1-2H3,(H,26,30)
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| InChIKey |
ANKZVVIXDYUWJS-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