General Information of the Compound
| Compound ID |
CP0354628
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| Compound Name |
4-[2-hydroxy-3-(methylamino)propoxy]-N-propan-2-ylbenzenesulfonamide;hydrochloride
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| Structure |
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| Formula |
C13H23ClN2O4S
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| Molecular Weight |
338.857
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| Canonical SMILES |
Cl.CNCC(O)COc1ccc(cc1)S(=O)(=O)NC(C)C
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| InChI |
InChI=1S/C13H22N2O4S.ClH/c1-10(2)15-20(17,18)13-6-4-12(5-7-13)19-9-11(16)8-14-3;/h4-7,10-11,14-16H,8-9H2,1-3H3;1H
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| InChIKey |
AQFXPLLCLGDLAP-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