General Information of the Compound
| Compound ID |
CP0713516
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| Compound Name |
2-(4-(3,5-bis(trifluoromethyl)piperidine-1-carbonyl)-5-methyl-1H-pyrazol-1-yl)thieno[3,2-d]pyrimidin-4(3H)-one
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| Structure |
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| Formula |
C18H15F6N5O2S
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| Molecular Weight |
479.406
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| Canonical SMILES |
Cc1c(C(=O)N2CC(C(F)(F)F)CC(C(F)(F)F)C2)cnn1-c1nc2ccsc2c(=O)[nH]1
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| InChI |
InChI=1S/C18H15F6N5O2S/c1-8-11(5-25-29(8)16-26-12-2-3-32-13(12)14(30)27-16)15(31)28-6-9(17(19,20)21)4-10(7-28)18(22,23)24/h2-3,5,9-10H,4,6-7H2,1H3,(H,26,27,30)
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| InChIKey |
PZPLISOQINUWDT-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