General Information of the Compound
| Compound ID |
CP0511907
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| Compound Name |
2-[4-[3-(azetidine-1-carbonyl)-7-(trifluoromethyl)thieno[3,2-b]pyridin-5-yl]piperazin-1-yl]-N-propan-2-ylacetamide
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| Structure |
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| Formula |
C21H26F3N5O2S
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| Molecular Weight |
469.533
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| Canonical SMILES |
CC(C)NC(=O)CN1CCN(CC1)c1cc(c2scc(C(=O)N3CCC3)c2n1)C(F)(F)F
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| InChI |
InChI=1S/C21H26F3N5O2S/c1-13(2)25-17(30)11-27-6-8-28(9-7-27)16-10-15(21(22,23)24)19-18(26-16)14(12-32-19)20(31)29-4-3-5-29/h10,12-13H,3-9,11H2,1-2H3,(H,25,30)
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| InChIKey |
XKUWHUUWSGWNGS-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