General Information of the Compound
| Compound ID |
CP0552773
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| Compound Name |
[1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] N-[2-(trifluoromethoxy)ethyl]carbamate
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| Structure |
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| Formula |
C19H20F6N4O4S
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| Molecular Weight |
514.448
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| Canonical SMILES |
CNC(=O)c1csc2c(cc(nc12)N1CCC(CC1)OC(=O)NCCOC(F)(F)F)C(F)(F)F
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| InChI |
InChI=1S/C19H20F6N4O4S/c1-26-16(30)11-9-34-15-12(18(20,21)22)8-13(28-14(11)15)29-5-2-10(3-6-29)33-17(31)27-4-7-32-19(23,24)25/h8-10H,2-7H2,1H3,(H,26,30)(H,27,31)
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| InChIKey |
SJJDTGLKXUPVFE-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