General Information of the Compound
| Compound ID |
CP0564997
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| Compound Name |
1-(1-methylimidazol-4-yl)sulfonyl-4-pyridin-3-yl-N-[3-(trifluoromethyl)phenyl]pyrrolidin-3-amine
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| Structure |
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| Formula |
C20H20F3N5O2S
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| Molecular Weight |
451.474
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| Canonical SMILES |
Cn1cnc(c1)S(=O)(=O)N1CC(Nc2cccc(c2)C(F)(F)F)C(C1)c1cccnc1
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| InChI |
InChI=1S/C20H20F3N5O2S/c1-27-12-19(25-13-27)31(29,30)28-10-17(14-4-3-7-24-9-14)18(11-28)26-16-6-2-5-15(8-16)20(21,22)23/h2-9,12-13,17-18,26H,10-11H2,1H3
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| InChIKey |
CEXHRJBERMDZKE-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