General Information of the Compound
| Compound ID |
CP0540469
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| Compound Name |
[1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] 3-(trifluoromethoxy)azetidine-1-carboxylate
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| Structure |
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| Formula |
C20H20F6N4O4S
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| Molecular Weight |
526.459
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| Canonical SMILES |
CNC(=O)c1csc2c(cc(nc12)N1CCC(CC1)OC(=O)N1CC(C1)OC(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C20H20F6N4O4S/c1-27-17(31)12-9-35-16-13(19(21,22)23)6-14(28-15(12)16)29-4-2-10(3-5-29)33-18(32)30-7-11(8-30)34-20(24,25)26/h6,9-11H,2-5,7-8H2,1H3,(H,27,31)
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| InChIKey |
PGNTYYGEYYKNLL-UHFFFAOYSA-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