General Information of the Compound
| Compound ID |
CP0576023
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| Compound Name |
2-amino-3-bromo-5-[1-(cyclopentylamino)-2-hydroxyethyl]benzonitrile;hydrochloride
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| Structure |
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| Formula |
C14H19BrClN3O
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| Molecular Weight |
360.683
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| Canonical SMILES |
Cl.Nc1c(Br)cc(cc1C#N)C(CO)NC1CCCC1
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| InChI |
InChI=1S/C14H18BrN3O.ClH/c15-12-6-9(5-10(7-16)14(12)17)13(8-19)18-11-3-1-2-4-11;/h5-6,11,13,18-19H,1-4,8,17H2;1H
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| InChIKey |
MPSSCERDLZFLJO-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