General Information of the Compound
| Compound ID |
CP0069449
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| Compound Name |
2-[4-(trifluoromethyl)phenyl]-4a,5,7,7a-tetrahydro-3H-thieno[3,4-d]pyrimidin-4-one
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| Structure |
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| Formula |
C13H11F3N2OS
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| Molecular Weight |
300.305
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| Canonical SMILES |
FC(F)(F)c1ccc(cc1)C1=NC2CSCC2C(=O)N1
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| InChI |
InChI=1S/C13H11F3N2OS/c14-13(15,16)8-3-1-7(2-4-8)11-17-10-6-20-5-9(10)12(19)18-11/h1-4,9-10H,5-6H2,(H,17,18,19)
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| InChIKey |
IMGVRRFHXDRFEY-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