General Information of the Compound
| Compound ID |
CP0579213
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| Compound Name |
2-(4-amino-3-bromo-5-fluorophenyl)-2-(cyclopentylamino)ethanol;hydrochloride
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| Structure |
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| Formula |
C13H19BrClFN2O
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| Molecular Weight |
353.663
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| Canonical SMILES |
Cl.Nc1c(F)cc(cc1Br)C(CO)NC1CCCC1
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| InChI |
InChI=1S/C13H18BrFN2O.ClH/c14-10-5-8(6-11(15)13(10)16)12(7-18)17-9-3-1-2-4-9;/h5-6,9,12,17-18H,1-4,7,16H2;1H
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| InChIKey |
JVACREQONILIGM-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