General Information of the Compound
| Compound ID |
CP0537965
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| Compound Name |
1-(2-methoxyethyl)-5-methyl-3-(2-phenylethyl)-6-(pyrrolidin-1-ylmethyl)thieno[2,3-d]pyrimidine-2,4-dione
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| Structure |
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| Formula |
C23H29N3O3S
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| Molecular Weight |
427.57
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| Canonical SMILES |
COCCn1c2sc(CN3CCCC3)c(C)c2c(=O)n(CCc2ccccc2)c1=O
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| InChI |
InChI=1S/C23H29N3O3S/c1-17-19(16-24-11-6-7-12-24)30-22-20(17)21(27)25(23(28)26(22)14-15-29-2)13-10-18-8-4-3-5-9-18/h3-5,8-9H,6-7,10-16H2,1-2H3
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| InChIKey |
ABAQWAPMAZBEMR-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