General Information of the Compound
| Compound ID |
CP0246087
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| Compound Name |
4-[2-hydroxy-3-(methylamino)propoxy]-N-(3-methylbutan-2-yl)benzenesulfonamide;hydrochloride
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| Structure |
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| Formula |
C15H27ClN2O4S
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| Molecular Weight |
366.911
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| Canonical SMILES |
Cl.CNCC(O)COc1ccc(cc1)S(=O)(=O)NC(C)C(C)C
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| InChI |
InChI=1S/C15H26N2O4S.ClH/c1-11(2)12(3)17-22(19,20)15-7-5-14(6-8-15)21-10-13(18)9-16-4;/h5-8,11-13,16-18H,9-10H2,1-4H3;1H
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| InChIKey |
XVHCDHLPPDVXOB-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