General Information of the Compound
| Compound ID |
CP0472174
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| Compound Name |
6-[1-hydroxy-1-(3-methylimidazol-4-yl)ethyl]-1-(2-methoxyethyl)-5-methyl-3-(2-phenylethyl)thieno[2,3-d]pyrimidine-2,4-dione
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| Structure |
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| Formula |
C24H28N4O4S
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| Molecular Weight |
468.579
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| Canonical SMILES |
COCCn1c2sc(c(C)c2c(=O)n(CCc2ccccc2)c1=O)C(C)(O)c1cncn1C
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| InChI |
InChI=1S/C24H28N4O4S/c1-16-19-21(29)27(11-10-17-8-6-5-7-9-17)23(30)28(12-13-32-4)22(19)33-20(16)24(2,31)18-14-25-15-26(18)3/h5-9,14-15,31H,10-13H2,1-4H3
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| InChIKey |
ZPOZKMMLDSGPGP-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