General Information of the Compound
| Compound ID |
CP0569182
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| Compound Name |
2-amino-3-bromo-5-[1-(3-ethoxypropylamino)-2-hydroxyethyl]benzonitrile;hydrochloride
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| Structure |
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| Formula |
C14H21BrClN3O2
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| Molecular Weight |
378.698
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| Canonical SMILES |
Cl.CCOCCCNC(CO)c1cc(Br)c(N)c(c1)C#N
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| InChI |
InChI=1S/C14H20BrN3O2.ClH/c1-2-20-5-3-4-18-13(9-19)10-6-11(8-16)14(17)12(15)7-10;/h6-7,13,18-19H,2-5,9,17H2,1H3;1H
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| InChIKey |
FDISIASIGHYSLQ-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