General Information of the Compound
| Compound ID |
CP0555688
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| Compound Name |
N-[[5-[2-(5,6-dimethylthieno[2,3-d]pyrimidin-4-yl)sulfanylacetyl]furan-2-yl]methyl]-2-methylpropanamide
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| Structure |
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| Formula |
C19H21N3O3S2
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| Molecular Weight |
403.529
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| Canonical SMILES |
CC(C)C(=O)NCc1ccc(o1)C(=O)CSc1ncnc2sc(C)c(C)c12
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| InChI |
InChI=1S/C19H21N3O3S2/c1-10(2)17(24)20-7-13-5-6-15(25-13)14(23)8-26-18-16-11(3)12(4)27-19(16)22-9-21-18/h5-6,9-10H,7-8H2,1-4H3,(H,20,24)
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| InChIKey |
OBCZEYDEDZIPHU-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