General Information of the Compound
| Compound ID |
CP0376657
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| Compound Name |
5-chloro-N4-(2-(isopropylsulfonyl)phenyl)-N2-(2-methoxy-4-nitrophenyl)pyrimidine-2,4-diamine
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| Structure |
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| Formula |
C20H20ClN5O5S
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| Molecular Weight |
477.93
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| Canonical SMILES |
COc1cc(ccc1Nc1ncc(Cl)c(Nc2ccccc2S(=O)(=O)C(C)C)n1)[N+]([O-])=O
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| InChI |
InChI=1S/C20H20ClN5O5S/c1-12(2)32(29,30)18-7-5-4-6-16(18)23-19-14(21)11-22-20(25-19)24-15-9-8-13(26(27)28)10-17(15)31-3/h4-12H,1-3H3,(H2,22,23,24,25)
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| InChIKey |
BCCAOEMMLTWKQG-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