General Information of the Compound
| Compound ID |
CP0523430
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| Compound Name |
3-[2-methoxy-6-[2-(4-methoxyphenyl)ethylamino]pyrimidin-4-yl]benzenesulfonamide
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| Structure |
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| Formula |
C20H22N4O4S
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| Molecular Weight |
414.487
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| Canonical SMILES |
COc1ccc(CCNc2cc(nc(OC)n2)-c2cccc(c2)S(N)(=O)=O)cc1
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| InChI |
InChI=1S/C20H22N4O4S/c1-27-16-8-6-14(7-9-16)10-11-22-19-13-18(23-20(24-19)28-2)15-4-3-5-17(12-15)29(21,25)26/h3-9,12-13H,10-11H2,1-2H3,(H2,21,25,26)(H,22,23,24)
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| InChIKey |
SNQFYTGSLPIDJG-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