General Information of the Compound
| Compound ID |
CP0525848
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| Compound Name |
[2-methoxy-3-methylsulfonyl-6-[(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 |
C22H21F6NO5S
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| Molecular Weight |
525.467
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| Canonical SMILES |
COc1c(ccc(O[C@@H](C)C(F)(F)F)c1C(=O)N1CC(C1)c1ccc(cc1)C(F)(F)F)S(C)(=O)=O
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| InChI |
InChI=1S/C22H21F6NO5S/c1-12(21(23,24)25)34-16-8-9-17(35(3,31)32)19(33-2)18(16)20(30)29-10-14(11-29)13-4-6-15(7-5-13)22(26,27)28/h4-9,12,14H,10-11H2,1-3H3/t12-/m0/s1
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| InChIKey |
JCXDGAMFXUHQBI-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