General Information of the Compound
| Compound ID |
CP0468916
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| Compound Name |
2-[5-(3,4-dimethoxyphenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]-N-(4-methoxyphenyl)acetamide
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| Structure |
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| Formula |
C23H21N3O5S
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| Molecular Weight |
451.504
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| Canonical SMILES |
COc1ccc(NC(=O)Cn2cnc3scc(-c4ccc(OC)c(OC)c4)c3c2=O)cc1
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| InChI |
InChI=1S/C23H21N3O5S/c1-29-16-7-5-15(6-8-16)25-20(27)11-26-13-24-22-21(23(26)28)17(12-32-22)14-4-9-18(30-2)19(10-14)31-3/h4-10,12-13H,11H2,1-3H3,(H,25,27)
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| InChIKey |
BNFJYJSFDIKYLC-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