General Information of the Compound
| Compound ID |
CP0555224
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| Compound Name |
3-(2,2-difluoro-2-phenylethyl)-1-(2-methoxyethyl)-5-methylthieno[2,3-d]pyrimidine-2,4-dione
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| Structure |
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| Formula |
C18H18F2N2O3S
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| Molecular Weight |
380.416
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| Canonical SMILES |
COCCn1c2scc(C)c2c(=O)n(CC(F)(F)c2ccccc2)c1=O
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| InChI |
InChI=1S/C18H18F2N2O3S/c1-12-10-26-16-14(12)15(23)22(17(24)21(16)8-9-25-2)11-18(19,20)13-6-4-3-5-7-13/h3-7,10H,8-9,11H2,1-2H3
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| InChIKey |
GYNMTGACYNLGAW-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