General Information of the Compound
| Compound ID |
CP0575961
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| Compound Name |
6-(1-cyclopropyl-1-hydroxyethyl)-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 |
C23H28N2O4S
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| Molecular Weight |
428.554
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| Canonical SMILES |
COCCn1c2sc(c(C)c2c(=O)n(CCc2ccccc2)c1=O)C(C)(O)C1CC1
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| InChI |
InChI=1S/C23H28N2O4S/c1-15-18-20(26)24(12-11-16-7-5-4-6-8-16)22(27)25(13-14-29-3)21(18)30-19(15)23(2,28)17-9-10-17/h4-8,17,28H,9-14H2,1-3H3
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| InChIKey |
FVZUSAQJMCBGOW-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