General Information of the Compound
| Compound ID |
CP0547149
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| Compound Name |
(3R,4S)-4-(4-fluorophenyl)-N-[4-fluoro-3-(trifluoromethyl)phenyl]-1-[(1-methyl-1H-1,2,3-triazol-4-yl)sulfonyl]pyrrolidin-3-amine
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| Structure |
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| Formula |
C20H18F5N5O2S
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| Molecular Weight |
487.454
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| Canonical SMILES |
Cn1cc(nn1)S(=O)(=O)N1C[C@H](Nc2ccc(F)c(c2)C(F)(F)F)[C@H](C1)c1ccc(F)cc1
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| InChI |
InChI=1S/C20H18F5N5O2S/c1-29-11-19(27-28-29)33(31,32)30-9-15(12-2-4-13(21)5-3-12)18(10-30)26-14-6-7-17(22)16(8-14)20(23,24)25/h2-8,11,15,18,26H,9-10H2,1H3/t15-,18+/m1/s1
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| InChIKey |
NMIDNEFOBSJZBW-QAPCUYQASA-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