General Information of the Compound
| Compound ID |
CP0536320
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| Compound Name |
N-(benzylcarbamoyl)-2-[5-(4-fluorophenyl)-4-oxothieno[2,3-d]pyrimidin-3-yl]acetamide
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| Structure |
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| Formula |
C22H17FN4O3S
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| Molecular Weight |
436.468
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| Canonical SMILES |
Fc1ccc(cc1)-c1csc2ncn(CC(=O)NC(=O)NCc3ccccc3)c(=O)c12
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| InChI |
InChI=1S/C22H17FN4O3S/c23-16-8-6-15(7-9-16)17-12-31-20-19(17)21(29)27(13-25-20)11-18(28)26-22(30)24-10-14-4-2-1-3-5-14/h1-9,12-13H,10-11H2,(H2,24,26,28,30)
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| InChIKey |
ANSIGFZCYBTSJV-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