General Information of the Compound
| Compound ID |
CP0451225
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| Compound Name |
N-(benzenesulfonyl)-4-(dimethylamino)pyrrolo[2,3-b]pyridine-1-carboxamide
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| Structure |
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| Formula |
C16H16N4O3S
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| Molecular Weight |
344.396
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| Canonical SMILES |
CN(C)c1ccnc2n(ccc12)C(=O)NS(=O)(=O)c1ccccc1
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| InChI |
InChI=1S/C16H16N4O3S/c1-19(2)14-8-10-17-15-13(14)9-11-20(15)16(21)18-24(22,23)12-6-4-3-5-7-12/h3-11H,1-2H3,(H,18,21)
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| InChIKey |
VQUVTKNUNIROJD-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