General Information of the Compound
| Compound ID |
CP0552700
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| Compound Name |
(3R,4S)-4-(4-fluorophenyl)-1-[(1-methyl-1H-imidazol-4-yl)sulfonyl]-N-[3-(trifluoromethoxy)phenyl]pyrrolidin-3-amine
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| Structure |
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| Formula |
C21H20F4N4O3S
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| Molecular Weight |
484.475
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| Canonical SMILES |
Cn1cnc(c1)S(=O)(=O)N1C[C@H](Nc2cccc(OC(F)(F)F)c2)[C@H](C1)c1ccc(F)cc1
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| InChI |
InChI=1S/C21H20F4N4O3S/c1-28-12-20(26-13-28)33(30,31)29-10-18(14-5-7-15(22)8-6-14)19(11-29)27-16-3-2-4-17(9-16)32-21(23,24)25/h2-9,12-13,18-19,27H,10-11H2,1H3/t18-,19+/m1/s1
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| InChIKey |
DQVNMGBRDUEQIV-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