General Information of the Compound
| Compound ID |
CP0525849
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| Compound Name |
[5-methylsulfonyl-2-[(2S)-1,1,1-trifluoropropan-2-yl]oxyphenyl]-[3-[4-(trifluoromethyl)phenyl]azetidin-1-yl]methanone
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| Structure |
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| Formula |
C21H19F6NO4S
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| Molecular Weight |
495.441
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| Canonical SMILES |
C[C@H](Oc1ccc(cc1C(=O)N1CC(C1)c1ccc(cc1)C(F)(F)F)S(C)(=O)=O)C(F)(F)F
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| InChI |
InChI=1S/C21H19F6NO4S/c1-12(20(22,23)24)32-18-8-7-16(33(2,30)31)9-17(18)19(29)28-10-14(11-28)13-3-5-15(6-4-13)21(25,26)27/h3-9,12,14H,10-11H2,1-2H3/t12-/m0/s1
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| InChIKey |
LCTSAIASTIGUKO-LBPRGKRZSA-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: PT00897, Potassium voltage-gated channel subfamily H member 2
Protein ID: PT02185, Sodium- and chloride-dependent glycine transporter 1