General Information of the Compound
| Compound ID |
CP0451982
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| Compound Name |
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-3-fluoro-2-methylsulfanylaniline
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| Structure |
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| Formula |
C11H14FN3S
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| Molecular Weight |
239.319
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| Canonical SMILES |
CSc1c(F)cccc1NCC1=NCCN1
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| InChI |
InChI=1S/C11H14FN3S/c1-16-11-8(12)3-2-4-9(11)15-7-10-13-5-6-14-10/h2-4,15H,5-7H2,1H3,(H,13,14)
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| InChIKey |
QJUBRJKAGWBYDR-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