General Information of the Compound
| Compound ID |
CP0539829
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| Compound Name |
N-[3-[[2-[4-[(4-fluorophenyl)sulfonylamino]-3-methylanilino]-5-nitropyrimidin-4-yl]amino]phenyl]prop-2-enamide
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| Structure |
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| Formula |
C26H22FN7O5S
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| Molecular Weight |
563.571
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| Canonical SMILES |
Cc1cc(Nc2ncc(c(Nc3cccc(NC(=O)C=C)c3)n2)[N+]([O-])=O)ccc1NS(=O)(=O)c1ccc(F)cc1
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| InChI |
InChI=1S/C26H22FN7O5S/c1-3-24(35)29-18-5-4-6-19(14-18)30-25-23(34(36)37)15-28-26(32-25)31-20-9-12-22(16(2)13-20)33-40(38,39)21-10-7-17(27)8-11-21/h3-15,33H,1H2,2H3,(H,29,35)(H2,28,30,31,32)
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| InChIKey |
RLMZJNBURABDNG-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