General Information of the Compound
| Compound ID |
CP0397746
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| Compound Name |
N-(4,5-dihydro-1H-imidazol-1-ium-2-ylmethyl)-2-methylsulfinylaniline;chloride
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| Structure |
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| Formula |
C11H16ClN3OS
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| Molecular Weight |
273.789
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| Canonical SMILES |
Cl.C[S+]([O-])c1ccccc1NCC1=NCCN1
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| InChI |
InChI=1S/C11H15N3OS.ClH/c1-16(15)10-5-3-2-4-9(10)14-8-11-12-6-7-13-11;/h2-5,14H,6-8H2,1H3,(H,12,13);1H
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| InChIKey |
CLJWUQUYJYUFLN-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: PT01650, Alpha-2A adrenergic receptor
Protein ID: PT02026, Alpha-2B adrenergic receptor
Protein ID: PT01598, Alpha-2C adrenergic receptor