General Information of the Compound
| Compound ID |
CP0064056
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| Compound Name |
CHEBI:10055
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| Synonyms |
ICI-118587
xamoterol
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| Structure |
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| Formula |
C16H25N3O5
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| Molecular Weight |
339.392
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| Canonical SMILES |
OC(CNCCNC(=O)N1CCOCC1)COc1ccc(O)cc1
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| InChI |
InChI=1S/C16H25N3O5/c20-13-1-3-15(4-2-13)24-12-14(21)11-17-5-6-18-16(22)19-7-9-23-10-8-19/h1-4,14,17,20-21H,5-12H2,(H,18,22)
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| InChIKey |
DXPOSRCHIDYWHW-UHFFFAOYSA-N
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| CAS |
81801-12-9
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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
Protein ID: PT01493, Beta-3 adrenergic receptor
Clinical Information about the Compound