General Information of the Compound
| Compound ID |
CP0520050
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| Compound Name |
[(3R,4S)-4-(4-fluorophenyl)-1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-3-yl]-[3-(trifluoromethoxy)phenyl]methanone
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| Structure |
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| Formula |
C22H19F4N3O4S
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| Molecular Weight |
497.47
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| Canonical SMILES |
Cn1cnc(c1)S(=O)(=O)N1C[C@@H]([C@H](C1)c1ccc(F)cc1)C(=O)c1cccc(OC(F)(F)F)c1
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| InChI |
InChI=1S/C22H19F4N3O4S/c1-28-12-20(27-13-28)34(31,32)29-10-18(14-5-7-16(23)8-6-14)19(11-29)21(30)15-3-2-4-17(9-15)33-22(24,25)26/h2-9,12-13,18-19H,10-11H2,1H3/t18-,19+/m1/s1
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| InChIKey |
HQEFTPUROWLXDX-MOPGFXCFSA-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