General Information of the Compound
| Compound ID |
CP0906485
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| Compound Name |
1-(2-Methoxyphenyl)-3-(2-(piperidin-1-yl)ethyl)thiourea hydrochloride
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| Structure |
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| Formula |
C15H24ClN3OS
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| Molecular Weight |
329.897
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| Canonical SMILES |
COc1ccccc1NC(=S)NCCN1CCCCC1.Cl
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| InChI |
InChI=1S/C15H23N3OS.ClH/c1-19-14-8-4-3-7-13(14)17-15(20)16-9-12-18-10-5-2-6-11-18;/h3-4,7-8H,2,5-6,9-12H2,1H3,(H2,16,17,20);1H
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| InChIKey |
AHKUQQAPYPVESP-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