General Information of the Compound
| Compound ID |
CP0544049
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| Compound Name |
N-[2-(4-sulfamoylphenyl)ethylcarbamothioyl]-1,3-benzodioxole-5-carboxamide
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| Structure |
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| Formula |
C17H17N3O5S2
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| Molecular Weight |
407.473
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| Canonical SMILES |
NS(=O)(=O)c1ccc(CCNC(=S)NC(=O)c2ccc3OCOc3c2)cc1
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| InChI |
InChI=1S/C17H17N3O5S2/c18-27(22,23)13-4-1-11(2-5-13)7-8-19-17(26)20-16(21)12-3-6-14-15(9-12)25-10-24-14/h1-6,9H,7-8,10H2,(H2,18,22,23)(H2,19,20,21,26)
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| InChIKey |
HBOIMROWLLXYOH-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: PT02908, P2X purinoceptor 4
Protein ID: PT01449, P2X purinoceptor 7