General Information of the Compound
| Compound ID |
CP0521828
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| Compound Name |
N-[5-(furan-3-yl)pyrimidin-2-yl]-2-[(4-oxo-3-phenyl-6,7-dihydrothieno[3,2-d]pyrimidin-2-yl)sulfanyl]acetamide
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| Structure |
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| Formula |
C22H17N5O3S2
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| Molecular Weight |
463.544
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| Canonical SMILES |
O=C(CSc1nc2CCSc2c(=O)n1-c1ccccc1)Nc1ncc(cn1)-c1ccoc1
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| InChI |
InChI=1S/C22H17N5O3S2/c28-18(26-21-23-10-15(11-24-21)14-6-8-30-12-14)13-32-22-25-17-7-9-31-19(17)20(29)27(22)16-4-2-1-3-5-16/h1-6,8,10-12H,7,9,13H2,(H,23,24,26,28)
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| InChIKey |
ATXBDKTTWBQMMZ-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