General Information of the Compound
| Compound ID |
CP0419572
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| Compound Name |
tert-butyl 4-[methyl-[7-(4-methylsulfonylphenyl)thieno[3,2-d]pyrimidin-4-yl]amino]piperidine-1-carboxylate
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| Structure |
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| Formula |
C24H30N4O4S2
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| Molecular Weight |
502.662
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| Canonical SMILES |
CN(C1CCN(CC1)C(=O)OC(C)(C)C)c1ncnc2c(csc12)-c1ccc(cc1)S(C)(=O)=O
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| InChI |
InChI=1S/C24H30N4O4S2/c1-24(2,3)32-23(29)28-12-10-17(11-13-28)27(4)22-21-20(25-15-26-22)19(14-33-21)16-6-8-18(9-7-16)34(5,30)31/h6-9,14-15,17H,10-13H2,1-5H3
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| InChIKey |
BCTBEGQOLMHQIT-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