General Information of the Compound
| Compound ID |
CP0554479
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| Compound Name |
2-N-[3,5-bis(methylsulfonyl)phenyl]-4-N-(5-chloro-1,3-benzodioxol-4-yl)pyrimidine-2,4-diamine
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| Structure |
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| Formula |
C19H17ClN4O6S2
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| Molecular Weight |
496.954
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| Canonical SMILES |
CS(=O)(=O)c1cc(Nc2nccc(Nc3c4OCOc4ccc3Cl)n2)cc(c1)S(C)(=O)=O
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| InChI |
InChI=1S/C19H17ClN4O6S2/c1-31(25,26)12-7-11(8-13(9-12)32(2,27)28)22-19-21-6-5-16(24-19)23-17-14(20)3-4-15-18(17)30-10-29-15/h3-9H,10H2,1-2H3,(H2,21,22,23,24)
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| InChIKey |
ZCOJEMMXFPJJRU-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