General Information of the Compound
| Compound ID |
CP0470966
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| Compound Name |
2-(4-oxo-5-phenylthieno[2,3-d]pyrimidin-3-yl)-N-(phenylcarbamoyl)acetamide
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| Structure |
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| Formula |
C21H16N4O3S
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| Molecular Weight |
404.451
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| Canonical SMILES |
O=C(Cn1cnc2scc(-c3ccccc3)c2c1=O)NC(=O)Nc1ccccc1
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| InChI |
InChI=1S/C21H16N4O3S/c26-17(24-21(28)23-15-9-5-2-6-10-15)11-25-13-22-19-18(20(25)27)16(12-29-19)14-7-3-1-4-8-14/h1-10,12-13H,11H2,(H2,23,24,26,28)
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| InChIKey |
FXWDBJPXNMSNCG-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