General Information of the Compound
| Compound ID |
CP0516029
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| Compound Name |
2,4-dichloro-N-((4-(3-fluoropyridin-2-yl)-1-(propylsulfonyl)piperidin-4-yl)methyl)benzamide
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| Structure |
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| Formula |
C21H24Cl2FN3O3S
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| Molecular Weight |
488.412
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| Canonical SMILES |
CCCS(=O)(=O)N1CCC(CNC(=O)c2ccc(Cl)cc2Cl)(CC1)c1ncccc1F
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| InChI |
InChI=1S/C21H24Cl2FN3O3S/c1-2-12-31(29,30)27-10-7-21(8-11-27,19-18(24)4-3-9-25-19)14-26-20(28)16-6-5-15(22)13-17(16)23/h3-6,9,13H,2,7-8,10-12,14H2,1H3,(H,26,28)
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| InChIKey |
PGCXDURHYABITF-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