General Information of the Compound
| Compound ID |
CP0397965
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| Compound Name |
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-5-methoxy-2-methylsulfanylaniline
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| Structure |
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| Formula |
C12H17N3OS
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| Molecular Weight |
251.355
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| Canonical SMILES |
COc1ccc(SC)c(NCC2=NCCN2)c1
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| InChI |
InChI=1S/C12H17N3OS/c1-16-9-3-4-11(17-2)10(7-9)15-8-12-13-5-6-14-12/h3-4,7,15H,5-6,8H2,1-2H3,(H,13,14)
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| InChIKey |
NMTCRDZBJDXVCH-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