General Information of the Compound
| Compound ID |
CP0569546
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| Compound Name |
N-(benzenesulfonyl)-5-bromopyrrolo[2,3-b]pyridine-1-carboxamide
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| Structure |
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| Formula |
C14H10BrN3O3S
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| Molecular Weight |
380.223
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| Canonical SMILES |
Brc1cnc2n(ccc2c1)C(=O)NS(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C14H10BrN3O3S/c15-11-8-10-6-7-18(13(10)16-9-11)14(19)17-22(20,21)12-4-2-1-3-5-12/h1-9H,(H,17,19)
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| InChIKey |
JXHOQRWYMRCARG-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