General Information of the Compound
| Compound ID |
CP0562674
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| Compound Name |
[1-[3-(methylcarbamoyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperidin-4-yl] N-[(1S)-1-cyclopropylethyl]carbamate
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| Structure |
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| Formula |
C21H25F3N4O3S
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| Molecular Weight |
470.517
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| Canonical SMILES |
CNC(=O)c1csc2c(cc(nc12)N1CCC(CC1)OC(=O)N[C@@H](C)C1CC1)C(F)(F)F
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| InChI |
InChI=1S/C21H25F3N4O3S/c1-11(12-3-4-12)26-20(30)31-13-5-7-28(8-6-13)16-9-15(21(22,23)24)18-17(27-16)14(10-32-18)19(29)25-2/h9-13H,3-8H2,1-2H3,(H,25,29)(H,26,30)/t11-/m0/s1
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| InChIKey |
GAHVGOBOSRJIBA-NSHDSACASA-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