General Information of the Compound
| Compound ID |
CP0543244
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| Compound Name |
2-[3-fluoro-4-(methanesulfonamido)phenyl]-N-[[2-pyrrolidin-1-yl-4-(trifluoromethyl)phenyl]methyl]propanamide
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| Structure |
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| Formula |
C22H25F4N3O3S
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| Molecular Weight |
487.519
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| Canonical SMILES |
CC(C(=O)NCc1ccc(cc1N1CCCC1)C(F)(F)F)c1ccc(NS(C)(=O)=O)c(F)c1
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| InChI |
InChI=1S/C22H25F4N3O3S/c1-14(15-6-8-19(18(23)11-15)28-33(2,31)32)21(30)27-13-16-5-7-17(22(24,25)26)12-20(16)29-9-3-4-10-29/h5-8,11-12,14,28H,3-4,9-10,13H2,1-2H3,(H,27,30)
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| InChIKey |
CSRLGIFIIUCCJZ-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