General Information of the Compound
| Compound ID |
CP0899588
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| Compound Name |
(4,5-Dihydro-1H-imidazol-2-ylmethyl)-(2-ethylsulfanyl-phenyl)-amine hydrochloride
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| Structure |
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| Formula |
C12H18ClN3S
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| Molecular Weight |
271.817
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| Canonical SMILES |
CCSc1ccccc1NCC1=NCCN1.Cl
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| InChI |
InChI=1S/C12H17N3S.ClH/c1-2-16-11-6-4-3-5-10(11)15-9-12-13-7-8-14-12;/h3-6,15H,2,7-9H2,1H3,(H,13,14);1H
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| InChIKey |
JKURLTYDYMJPLW-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