General Information of the Compound
| Compound ID |
CP0465976
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| Compound Name |
1-(2-piperidin-1-ylethyl)-3-(4-sulfamoylphenyl)thiourea
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| Structure |
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| Formula |
C14H22N4O2S2
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| Molecular Weight |
342.49
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| Canonical SMILES |
NS(=O)(=O)c1ccc(NC(=S)NCCN2CCCCC2)cc1
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| InChI |
InChI=1S/C14H22N4O2S2/c15-22(19,20)13-6-4-12(5-7-13)17-14(21)16-8-11-18-9-2-1-3-10-18/h4-7H,1-3,8-11H2,(H2,15,19,20)(H2,16,17,21)
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| InChIKey |
APJQUZJJYBHJSQ-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: PT03099, Acetylcholinesterase
Protein ID: PT00820, Acetylcholinesterase