General Information of the Compound
| Compound ID |
CP0412857
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| Compound Name |
N-[6-chloro-3-(4,5-dihydro-1H-imidazol-2-ylmethoxy)-2-methylphenyl]methanesulfonamide
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| Synonyms |
Alpha-1 adrenoceptor agonist, Roche
Dabuzalgron
R-450
Ro-115-1240
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| Structure |
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| Formula |
C12H16ClN3O3S
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| Molecular Weight |
317.798
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| Canonical SMILES |
Cc1c(OCC2=NCCN2)ccc(Cl)c1NS(C)(=O)=O
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| InChI |
InChI=1S/C12H16ClN3O3S/c1-8-10(19-7-11-14-5-6-15-11)4-3-9(13)12(8)16-20(2,17)18/h3-4,16H,5-7H2,1-2H3,(H,14,15)
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| InChIKey |
FOYWMEJSRSBQGB-UHFFFAOYSA-N
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| CAS |
219311-44-1
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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: PT01089, Alpha-1A adrenergic receptor
Protein ID: PT01007, Alpha-1B adrenergic receptor
Protein ID: PT01004, Alpha-1D adrenergic receptor
Protein ID: PT01650, Alpha-2A adrenergic receptor
Clinical Information about the Compound