General Information of the Compound
| Compound ID |
CP0238637
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| Compound Name |
4-[2-hydroxy-3-(methylamino)propoxy]-N-(2-phenoxyethyl)benzenesulfonamide;hydrochloride
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| Structure |
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| Formula |
C18H25ClN2O5S
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| Molecular Weight |
416.927
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| Canonical SMILES |
Cl.CNCC(O)COc1ccc(cc1)S(=O)(=O)NCCOc1ccccc1
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| InChI |
InChI=1S/C18H24N2O5S.ClH/c1-19-13-15(21)14-25-17-7-9-18(10-8-17)26(22,23)20-11-12-24-16-5-3-2-4-6-16;/h2-10,15,19-21H,11-14H2,1H3;1H
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| InChIKey |
ZFBDGUBSGFNLBD-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