General Information of the Compound
| Compound ID |
CP0539123
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| Compound Name |
(2S,4R,5S)-4-fluoro-1-(4-fluorophenyl)sulfonyl-N-[[5-fluoro-2-[2-(trifluoromethyl)pyrimidin-5-yl]pyridin-4-yl]methyl]-5-methylpyrrolidine-2-carboxamide
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| Structure |
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| Formula |
C23H19F6N5O3S
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| Molecular Weight |
559.492
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| Canonical SMILES |
C[C@H]1[C@H](F)C[C@H](N1S(=O)(=O)c1ccc(F)cc1)C(=O)NCc1cc(ncc1F)-c1cnc(nc1)C(F)(F)F
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| InChI |
InChI=1S/C23H19F6N5O3S/c1-12-17(25)7-20(34(12)38(36,37)16-4-2-15(24)3-5-16)21(35)31-8-13-6-19(30-11-18(13)26)14-9-32-22(33-10-14)23(27,28)29/h2-6,9-12,17,20H,7-8H2,1H3,(H,31,35)/t12-,17+,20-/m0/s1
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| InChIKey |
HGDUOYYDKBPRCV-TUIFFPIZSA-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
Protein ID: PT02149, Transient receptor potential cation channel subfamily A member 1
Protein ID: PT02148, Transient receptor potential cation channel subfamily A member 1