General Information of the Compound
| Compound ID |
CP0408301
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| Compound Name |
N-[3-[[2-[4-[(4-methoxyphenyl)sulfonylamino]anilino]-5-nitropyrimidin-4-yl]amino]phenyl]prop-2-enamide
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| Structure |
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| Formula |
C26H23N7O6S
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| Molecular Weight |
561.58
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| Canonical SMILES |
COc1ccc(cc1)S(=O)(=O)Nc1ccc(Nc2ncc(c(Nc3cccc(NC(=O)C=C)c3)n2)[N+]([O-])=O)cc1
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| InChI |
InChI=1S/C26H23N7O6S/c1-3-24(34)28-19-5-4-6-20(15-19)29-25-23(33(35)36)16-27-26(31-25)30-17-7-9-18(10-8-17)32-40(37,38)22-13-11-21(39-2)12-14-22/h3-16,32H,1H2,2H3,(H,28,34)(H2,27,29,30,31)
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| InChIKey |
OZAVAIUFXCUDIZ-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