General Information of the Compound
| Compound ID |
CP0116956
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| Compound Name |
4-N-(1,3-benzodioxol-4-yl)-2-N-(3-methylsulfonylphenyl)pyrimidine-2,4-diamine
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| Structure |
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| Formula |
C18H16N4O4S
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| Molecular Weight |
384.417
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| Canonical SMILES |
CS(=O)(=O)c1cccc(Nc2nccc(Nc3cccc4OCOc34)n2)c1
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| InChI |
InChI=1S/C18H16N4O4S/c1-27(23,24)13-5-2-4-12(10-13)20-18-19-9-8-16(22-18)21-14-6-3-7-15-17(14)26-11-25-15/h2-10H,11H2,1H3,(H2,19,20,21,22)
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| InChIKey |
YZQWWQPQOLRGER-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