General Information of the Compound
| Compound ID |
CP0417502
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| Compound Name |
7-[1-(5-ethylpyrimidin-2-yl)piperidin-4-yl]-4-(5-methylsulfonyl-2,3-dihydroindol-1-yl)furo[3,2-d]pyrimidine
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| Structure |
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| Formula |
C26H28N6O3S
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| Molecular Weight |
504.616
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| Canonical SMILES |
CCc1cnc(nc1)N1CCC(CC1)c1coc2c(ncnc12)N1CCc2cc(ccc12)S(C)(=O)=O
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| InChI |
InChI=1S/C26H28N6O3S/c1-3-17-13-27-26(28-14-17)31-9-6-18(7-10-31)21-15-35-24-23(21)29-16-30-25(24)32-11-8-19-12-20(36(2,33)34)4-5-22(19)32/h4-5,12-16,18H,3,6-11H2,1-2H3
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| InChIKey |
QATNTHPMWZMNEX-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