General Information of the Compound
| Compound ID |
CP0726239
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| Compound Name |
2-(5-methyl-4-(4-(trifluoromethyl)piperidine-1-carbonyl)-1H-pyrazol-1-yl)thieno[2,3-d]pyrimidin-4(3H)-one
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| Structure |
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| Formula |
C17H16F3N5O2S
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| Molecular Weight |
411.409
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| Canonical SMILES |
Cc1c(C(=O)N2CCC(C(F)(F)F)CC2)cnn1-c1nc2sccc2c(=O)[nH]1
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| InChI |
InChI=1S/C17H16F3N5O2S/c1-9-12(15(27)24-5-2-10(3-6-24)17(18,19)20)8-21-25(9)16-22-13(26)11-4-7-28-14(11)23-16/h4,7-8,10H,2-3,5-6H2,1H3,(H,22,23,26)
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| InChIKey |
WYNYNSKOVXUIRV-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