General Information of the Compound
| Compound ID |
CP0513071
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| Compound Name |
(1-methylcyclopropyl) 4-[[7-(2-fluoro-4-methylsulfonylphenyl)thieno[3,2-d]pyrimidin-4-yl]-methylamino]piperidine-1-carboxylate
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| Structure |
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| Formula |
C24H27FN4O4S2
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| Molecular Weight |
518.636
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| Canonical SMILES |
CN(C1CCN(CC1)C(=O)OC1(C)CC1)c1ncnc2c(csc12)-c1ccc(cc1F)S(C)(=O)=O
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| InChI |
InChI=1S/C24H27FN4O4S2/c1-24(8-9-24)33-23(30)29-10-6-15(7-11-29)28(2)22-21-20(26-14-27-22)18(13-34-21)17-5-4-16(12-19(17)25)35(3,31)32/h4-5,12-15H,6-11H2,1-3H3
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| InChIKey |
XXPXSNDQQJPQLM-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