General Information of the Compound
| Compound ID |
CP0508165
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| Compound Name |
2-methyl-1-[4-[methyl-[7-(4-methylsulfonylphenyl)thieno[3,2-d]pyrimidin-4-yl]amino]piperidin-1-yl]propan-1-one
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| Structure |
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| Formula |
C23H28N4O3S2
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| Molecular Weight |
472.636
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| Canonical SMILES |
CC(C)C(=O)N1CCC(CC1)N(C)c1ncnc2c(csc12)-c1ccc(cc1)S(C)(=O)=O
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| InChI |
InChI=1S/C23H28N4O3S2/c1-15(2)23(28)27-11-9-17(10-12-27)26(3)22-21-20(24-14-25-22)19(13-31-21)16-5-7-18(8-6-16)32(4,29)30/h5-8,13-15,17H,9-12H2,1-4H3
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| InChIKey |
KXLBJYXGUNIUHH-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