General Information of the Compound
| Compound ID |
CP0473005
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| Compound Name |
[3-[3-fluoro-5-(trifluoromethyl)pyridin-2-yl]azetidin-1-yl]-[2-methoxy-3-methylsulfonyl-6-[(2S)-1,1,1-trifluoropropan-2-yl]oxyphenyl]methanone
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| Structure |
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| Formula |
C21H19F7N2O5S
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| Molecular Weight |
544.445
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| Canonical SMILES |
COc1c(ccc(O[C@@H](C)C(F)(F)F)c1C(=O)N1CC(C1)c1ncc(cc1F)C(F)(F)F)S(C)(=O)=O
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| InChI |
InChI=1S/C21H19F7N2O5S/c1-10(20(23,24)25)35-14-4-5-15(36(3,32)33)18(34-2)16(14)19(31)30-8-11(9-30)17-13(22)6-12(7-29-17)21(26,27)28/h4-7,10-11H,8-9H2,1-3H3/t10-/m0/s1
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| InChIKey |
UPFABNWBCSMOPR-JTQLQIEISA-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