General Information of the Compound
| Compound ID |
CP0063013
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| Compound Name |
1-(methylamino)-3-[4-(4-methylpiperazin-1-yl)sulfonylphenoxy]propan-2-ol;hydrochloride
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| Structure |
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| Formula |
C15H26ClN3O4S
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| Molecular Weight |
379.91
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| Canonical SMILES |
Cl.CNCC(O)COc1ccc(cc1)S(=O)(=O)N1CCN(C)CC1
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| InChI |
InChI=1S/C15H25N3O4S.ClH/c1-16-11-13(19)12-22-14-3-5-15(6-4-14)23(20,21)18-9-7-17(2)8-10-18;/h3-6,13,16,19H,7-12H2,1-2H3;1H
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| InChIKey |
IXCSTYGAWVVVNW-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