General Information of the Compound
| Compound ID |
CP0549034
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| Compound Name |
5-bromo-N-(3-nitrophenyl)sulfonylpyrrolo[2,3-b]pyridine-1-carboxamide
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| Formula |
C14H9BrN4O5S
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| Molecular Weight |
425.22
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| Canonical SMILES |
[O-][N+](=O)c1cccc(c1)S(=O)(=O)NC(=O)n1ccc2cc(Br)cnc12
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| InChI |
InChI=1S/C14H9BrN4O5S/c15-10-6-9-4-5-18(13(9)16-8-10)14(20)17-25(23,24)12-3-1-2-11(7-12)19(21)22/h1-8H,(H,17,20)
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| InChIKey |
RAIOVCAKDZWCKK-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
Protein ID: PT01953, Ectonucleotide pyrophosphatase/phosphodiesterase family member 1
Protein ID: PT03249, Ectonucleotide pyrophosphatase/phosphodiesterase family member 3