General Information of the Compound
| Compound ID |
CP0554610
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| Compound Name |
N-(3-nitrophenyl)sulfonylpyrrolo[2,3-b]pyridine-1-carboxamide
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| Formula |
C14H10N4O5S
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| Molecular Weight |
346.324
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| Canonical SMILES |
[O-][N+](=O)c1cccc(c1)S(=O)(=O)NC(=O)n1ccc2cccnc12
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| InChI |
InChI=1S/C14H10N4O5S/c19-14(17-8-6-10-3-2-7-15-13(10)17)16-24(22,23)12-5-1-4-11(9-12)18(20)21/h1-9H,(H,16,19)
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| InChIKey |
JXBDCZIEHGTKCP-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