General Information of the Compound
| Compound ID |
CP0548757
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| Compound Name |
4-[6-(2-pyrazin-2-ylethylsulfonylmethyl)-2-pyridin-2-ylpyrimidin-4-yl]morpholine
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| Structure |
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| Formula |
C20H22N6O3S
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| Molecular Weight |
426.502
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| Canonical SMILES |
O=S(=O)(CCc1cnccn1)Cc1cc(nc(n1)-c1ccccn1)N1CCOCC1
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| InChI |
InChI=1S/C20H22N6O3S/c27-30(28,12-4-16-14-21-6-7-22-16)15-17-13-19(26-8-10-29-11-9-26)25-20(24-17)18-3-1-2-5-23-18/h1-3,5-7,13-14H,4,8-12,15H2
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| InChIKey |
YRXHHDKZFCWSQP-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