General Information of the Compound
| Compound ID |
CP0513902
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| Compound Name |
tert-butyl 4-[4-(5-methylsulfonyl-2,3-dihydroindol-1-yl)furo[3,2-d]pyrimidin-7-yl]piperidine-1-carboxylate
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| Structure |
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| Formula |
C25H30N4O5S
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| Molecular Weight |
498.605
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| Canonical SMILES |
CC(C)(C)OC(=O)N1CCC(CC1)c1coc2c(ncnc12)N1CCc2cc(ccc12)S(C)(=O)=O
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| InChI |
InChI=1S/C25H30N4O5S/c1-25(2,3)34-24(30)28-10-7-16(8-11-28)19-14-33-22-21(19)26-15-27-23(22)29-12-9-17-13-18(35(4,31)32)5-6-20(17)29/h5-6,13-16H,7-12H2,1-4H3
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| InChIKey |
DBYKBZFYJFJRCK-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