General Information of the Compound
| Compound ID |
CP0578584
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| Compound Name |
2-amino-3-bromo-5-[1-(tert-butylamino)-2-hydroxyethyl]benzonitrile;hydrochloride
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| Structure |
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| Formula |
C13H19BrClN3O
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| Molecular Weight |
348.672
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| Canonical SMILES |
Cl.CC(C)(C)NC(CO)c1cc(Br)c(N)c(c1)C#N
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| InChI |
InChI=1S/C13H18BrN3O.ClH/c1-13(2,3)17-11(7-18)8-4-9(6-15)12(16)10(14)5-8;/h4-5,11,17-18H,7,16H2,1-3H3;1H
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| InChIKey |
DBPMBZDDBFRRFE-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: PT01179, Beta-1 adrenergic receptor
Protein ID: PT01494, Beta-2 adrenergic receptor