General Information of the Compound
| Compound ID |
CP0552699
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| Compound Name |
4-[(3S,4R)-3-(4-fluorophenyl)-4-[[3-(trifluoromethoxy)phenoxy]methyl]pyrrolidin-1-yl]sulfonyl-1-methylimidazole
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| Structure |
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| Formula |
C22H21F4N3O4S
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| Molecular Weight |
499.486
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| Canonical SMILES |
Cn1cnc(c1)S(=O)(=O)N1C[C@H](COc2cccc(OC(F)(F)F)c2)[C@H](C1)c1ccc(F)cc1
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| InChI |
InChI=1S/C22H21F4N3O4S/c1-28-12-21(27-14-28)34(30,31)29-10-16(20(11-29)15-5-7-17(23)8-6-15)13-32-18-3-2-4-19(9-18)33-22(24,25)26/h2-9,12,14,16,20H,10-11,13H2,1H3/t16-,20-/m1/s1
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| InChIKey |
MLLFERRZXWMXRQ-OXQOHEQNSA-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