General Information of the Compound
| Compound ID |
CP0545077
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| Compound Name |
N-[(2-sulfamoylphenyl)carbamothioyl]adamantane-1-carboxamide
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| Structure |
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| Formula |
C18H23N3O3S2
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| Molecular Weight |
393.534
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| Canonical SMILES |
NS(=O)(=O)c1ccccc1NC(=S)NC(=O)C12CC3CC(CC(C3)C1)C2
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| InChI |
InChI=1S/C18H23N3O3S2/c19-26(23,24)15-4-2-1-3-14(15)20-17(25)21-16(22)18-8-11-5-12(9-18)7-13(6-11)10-18/h1-4,11-13H,5-10H2,(H2,19,23,24)(H2,20,21,22,25)
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| InChIKey |
BQVGHOMAZSLBPG-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