General Information of the Compound
| Compound ID |
CP0123538
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| Compound Name |
4-[2-(1H-indol-5-yl)-6-(methylsulfonylmethyl)pyrimidin-4-yl]morpholine
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| Structure |
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| Formula |
C18H20N4O3S
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| Molecular Weight |
372.45
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| Canonical SMILES |
CS(=O)(=O)Cc1cc(nc(n1)-c1ccc2[nH]ccc2c1)N1CCOCC1
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| InChI |
InChI=1S/C18H20N4O3S/c1-26(23,24)12-15-11-17(22-6-8-25-9-7-22)21-18(20-15)14-2-3-16-13(10-14)4-5-19-16/h2-5,10-11,19H,6-9,12H2,1H3
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| InChIKey |
CGCKKFFDYBVAMW-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