General Information of the Compound
| Compound ID |
CP0414025
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| Compound Name |
3-[2-(2-fluorophenyl)ethyl]-5-methyl-1-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidine-2,4-dione
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| Structure |
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| Formula |
C18H16F4N2O2S
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| Molecular Weight |
400.397
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| Canonical SMILES |
Cc1csc2n(CCC(F)(F)F)c(=O)n(CCc3ccccc3F)c(=O)c12
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| InChI |
InChI=1S/C18H16F4N2O2S/c1-11-10-27-16-14(11)15(25)23(8-6-12-4-2-3-5-13(12)19)17(26)24(16)9-7-18(20,21)22/h2-5,10H,6-9H2,1H3
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| InChIKey |
SZYVLAPLNVYANX-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