General Information of the Compound
| Compound ID |
CP0410767
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| Compound Name |
(4-pyridin-4-ylpiperazin-1-yl)-[1-[6-(trifluoromethyl)pyridin-3-yl]sulfonylazetidin-3-yl]methanone
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| Structure |
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| Formula |
C19H20F3N5O3S
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| Molecular Weight |
455.462
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| Canonical SMILES |
FC(F)(F)c1ccc(cn1)S(=O)(=O)N1CC(C1)C(=O)N1CCN(CC1)c1ccncc1
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| InChI |
InChI=1S/C19H20F3N5O3S/c20-19(21,22)17-2-1-16(11-24-17)31(29,30)27-12-14(13-27)18(28)26-9-7-25(8-10-26)15-3-5-23-6-4-15/h1-6,11,14H,7-10,12-13H2
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| InChIKey |
XIWZHDSQBATKQU-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