General Information of the Compound
| Compound ID |
CP0568301
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| Compound Name |
2-[4-amino-3-bromo-5-(trifluoromethyl)phenyl]-2-(tert-butylamino)ethanol;hydrochloride
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| Structure |
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| Formula |
C13H19BrClF3N2O
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| Molecular Weight |
391.659
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| Canonical SMILES |
Cl.CC(C)(C)NC(CO)c1cc(Br)c(N)c(c1)C(F)(F)F
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| InChI |
InChI=1S/C13H18BrF3N2O.ClH/c1-12(2,3)19-10(6-20)7-4-8(13(15,16)17)11(18)9(14)5-7;/h4-5,10,19-20H,6,18H2,1-3H3;1H
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| InChIKey |
FIQVNJQBZHMDEC-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