General Information of the Compound
| Compound ID |
CP0453839
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| Compound Name |
2-(4-amino-5,6-dimethylthieno[2,3-d]pyrimidin-2-yl)sulfanyl-1-phenylethanone
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| Structure |
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| Formula |
C16H15N3OS2
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| Molecular Weight |
329.45
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| Canonical SMILES |
Cc1sc2nc(SCC(=O)c3ccccc3)nc(N)c2c1C
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| InChI |
InChI=1S/C16H15N3OS2/c1-9-10(2)22-15-13(9)14(17)18-16(19-15)21-8-12(20)11-6-4-3-5-7-11/h3-7H,8H2,1-2H3,(H2,17,18,19)
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| InChIKey |
AJWGYTGFJMEQHN-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