General Information of the Compound
| Compound ID |
CP0537779
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| Compound Name |
1-[4-[[7-(2-fluoro-4-methylsulfonylphenyl)thieno[3,2-d]pyrimidin-4-yl]-methylamino]piperidin-1-yl]-2-methylpropan-1-one
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| Structure |
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| Formula |
C23H27FN4O3S2
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| Molecular Weight |
490.626
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| Canonical SMILES |
CC(C)C(=O)N1CCC(CC1)N(C)c1ncnc2c(csc12)-c1ccc(cc1F)S(C)(=O)=O
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| InChI |
InChI=1S/C23H27FN4O3S2/c1-14(2)23(29)28-9-7-15(8-10-28)27(3)22-21-20(25-13-26-22)18(12-32-21)17-6-5-16(11-19(17)24)33(4,30)31/h5-6,11-15H,7-10H2,1-4H3
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| InChIKey |
ZQDCKXWIBUXQHF-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