General Information of the Compound
| Compound ID |
CP0447586
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| Compound Name |
1-(4-(6-ethylthieno[2,3-d]pyrimidin-4-yl)piperazin-1-yl)-3,3,3-trifluoropropan-1-one
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| Structure |
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| Formula |
C15H17F3N4OS
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| Molecular Weight |
358.389
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| Canonical SMILES |
CCc1cc2c(ncnc2s1)N1CCN(CC1)C(=O)CC(F)(F)F
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| InChI |
InChI=1S/C15H17F3N4OS/c1-2-10-7-11-13(19-9-20-14(11)24-10)22-5-3-21(4-6-22)12(23)8-15(16,17)18/h7,9H,2-6,8H2,1H3
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| InChIKey |
PPIIFXPOOUJXBM-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