General Information of the Compound
| Compound ID |
CP0726240
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| Compound Name |
6-methyl-2-(5-methyl-4-(4-(trifluoromethyl)piperidine-1-carbonyl)-1H-pyrazol-1-yl)thieno[3,2-d]pyrimidin-4(3H)-one
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| Structure |
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| Formula |
C18H18F3N5O2S
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| Molecular Weight |
425.436
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| Canonical SMILES |
Cc1cc2nc(-n3ncc(C(=O)N4CCC(C(F)(F)F)CC4)c3C)[nH]c(=O)c2s1
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| InChI |
InChI=1S/C18H18F3N5O2S/c1-9-7-13-14(29-9)15(27)24-17(23-13)26-10(2)12(8-22-26)16(28)25-5-3-11(4-6-25)18(19,20)21/h7-8,11H,3-6H2,1-2H3,(H,23,24,27)
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| InChIKey |
VLFGCZALTORUTC-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