General Information of the Compound
| Compound ID |
CP0353827
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| Compound Name |
4-[2-hydroxy-3-(methylamino)propoxy]-N-[2-(4-sulfamoylphenyl)ethyl]benzamide;hydrochloride
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| Structure |
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| Formula |
C19H26ClN3O5S
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| Molecular Weight |
443.953
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| Canonical SMILES |
Cl.CNCC(O)COc1ccc(cc1)C(=O)NCCc1ccc(cc1)S(N)(=O)=O
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| InChI |
InChI=1S/C19H25N3O5S.ClH/c1-21-12-16(23)13-27-17-6-4-15(5-7-17)19(24)22-11-10-14-2-8-18(9-3-14)28(20,25)26;/h2-9,16,21,23H,10-13H2,1H3,(H,22,24)(H2,20,25,26);1H
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| InChIKey |
RZLGGVDLRFPCDN-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