General Information of the Compound
| Compound ID |
CP0196249
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| Compound Name |
2-({4-[(3-bromophenyl)amino]pyrido[4,3-d]pyrimidin-7-yl}amino)ethane-1-sulfonic acid
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| Structure |
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| Formula |
C15H14BrN5O3S
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| Molecular Weight |
424.28
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| Canonical SMILES |
OS(=O)(=O)CCNc1cc2ncnc(Nc3cccc(Br)c3)c2cn1
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| InChI |
InChI=1S/C15H14BrN5O3S/c16-10-2-1-3-11(6-10)21-15-12-8-18-14(7-13(12)19-9-20-15)17-4-5-25(22,23)24/h1-3,6-9H,4-5H2,(H,17,18)(H,19,20,21)(H,22,23,24)
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| InChIKey |
KFKHOLUDECOBTE-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