General Information of the Compound
| Compound ID |
CP0408600
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| Compound Name |
tert-butyl 4-[4-(2-fluoro-N-methyl-4-methylsulfonylanilino)furo[3,2-d]pyrimidin-7-yl]piperidine-1-carboxylate
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| Structure |
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| Formula |
C24H29FN4O5S
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| Molecular Weight |
504.584
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| Canonical SMILES |
CN(c1ccc(cc1F)S(C)(=O)=O)c1ncnc2c(coc12)C1CCN(CC1)C(=O)OC(C)(C)C
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| InChI |
InChI=1S/C24H29FN4O5S/c1-24(2,3)34-23(30)29-10-8-15(9-11-29)17-13-33-21-20(17)26-14-27-22(21)28(4)19-7-6-16(12-18(19)25)35(5,31)32/h6-7,12-15H,8-11H2,1-5H3
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| InChIKey |
SXNJVSAFCPGIKH-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