General Information of the Compound
| Compound ID |
CP0574569
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| Compound Name |
2-[4-amino-3-chloro-5-(trifluoromethyl)phenyl]-2-(3-ethoxypropylamino)ethanol;hydrochloride
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| Structure |
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| Formula |
C14H21Cl2F3N2O2
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| Molecular Weight |
377.234
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| Canonical SMILES |
Cl.CCOCCCNC(CO)c1cc(Cl)c(N)c(c1)C(F)(F)F
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| InChI |
InChI=1S/C14H20ClF3N2O2.ClH/c1-2-22-5-3-4-20-12(8-21)9-6-10(14(16,17)18)13(19)11(15)7-9;/h6-7,12,20-21H,2-5,8,19H2,1H3;1H
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| InChIKey |
VPGAQQLSIVIRKC-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