General Information of the Compound
| Compound ID |
CP0392166
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| Compound Name |
N-(4,5-dihydro-1H-imidazol-2-ylmethyl)-2-methylsulfonyl-5-(trifluoromethyl)aniline
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| Structure |
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| Formula |
C12H14F3N3O2S
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| Molecular Weight |
321.324
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| Canonical SMILES |
CS(=O)(=O)c1ccc(cc1NCC1=NCCN1)C(F)(F)F
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| InChI |
InChI=1S/C12H14F3N3O2S/c1-21(19,20)10-3-2-8(12(13,14)15)6-9(10)18-7-11-16-4-5-17-11/h2-3,6,18H,4-5,7H2,1H3,(H,16,17)
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| InChIKey |
NEAKCLFZBLSGMR-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