General Information of the Compound
| Compound ID |
CP0772444
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| Compound Name |
2-(3-(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 |
C16H14F3N5O2S
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| Molecular Weight |
397.382
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| Canonical SMILES |
O=C(c1ccn(-c2nc3ccsc3c(=O)[nH]2)n1)N1CCC(C(F)(F)F)CC1
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| InChI |
InChI=1S/C16H14F3N5O2S/c17-16(18,19)9-1-5-23(6-2-9)14(26)11-3-7-24(22-11)15-20-10-4-8-27-12(10)13(25)21-15/h3-4,7-9H,1-2,5-6H2,(H,20,21,25)
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| InChIKey |
GLXTXOGKSLXELJ-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