General Information of the Compound
| Compound ID |
CP0458326
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| Compound Name |
2,4-dichloro-N-((4-(3-fluoropyridin-2-yl)-1-(thiophen-2-ylsulfonyl)piperidin-4-yl)methyl)benzamide
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| Structure |
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| Formula |
C22H20Cl2FN3O3S2
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| Molecular Weight |
528.458
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| Canonical SMILES |
Fc1cccnc1C1(CNC(=O)c2ccc(Cl)cc2Cl)CCN(CC1)S(=O)(=O)c1cccs1
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| InChI |
InChI=1S/C22H20Cl2FN3O3S2/c23-15-5-6-16(17(24)13-15)21(29)27-14-22(20-18(25)3-1-9-26-20)7-10-28(11-8-22)33(30,31)19-4-2-12-32-19/h1-6,9,12-13H,7-8,10-11,14H2,(H,27,29)
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| InChIKey |
NKZROZLARMHSSI-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