General Information of the Compound
| Compound ID |
CP0579962
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| Compound Name |
2-[[2-[(4-bromophenyl)sulfonylamino]-6-oxo-1H-pyrimidine-5-carbonyl]amino]acetic acid
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| Structure |
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| Formula |
C13H11BrN4O6S
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| Molecular Weight |
431.224
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| Canonical SMILES |
OC(=O)CNC(=O)c1cnc(NS(=O)(=O)c2ccc(Br)cc2)nc1O
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| InChI |
InChI=1S/C13H11BrN4O6S/c14-7-1-3-8(4-2-7)25(23,24)18-13-16-5-9(12(22)17-13)11(21)15-6-10(19)20/h1-5H,6H2,(H,15,21)(H,19,20)(H2,16,17,18,22)
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| InChIKey |
YZWDUFGHLUVWGM-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