General Information of the Compound
| Compound ID |
CP0489910
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| Compound Name |
1-[2-[[3-[4-(2-cyclopentyloxyethoxy)phenoxy]-2-hydroxypropyl]amino]ethyl]-3-[2-(trifluoromethyl)phenyl]urea
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| Structure |
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| Formula |
C26H34F3N3O5
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| Molecular Weight |
525.568
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| Canonical SMILES |
OC(CNCCNC(=O)Nc1ccccc1C(F)(F)F)COc1ccc(OCCOC2CCCC2)cc1
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| InChI |
InChI=1S/C26H34F3N3O5/c27-26(28,29)23-7-3-4-8-24(23)32-25(34)31-14-13-30-17-19(33)18-37-22-11-9-21(10-12-22)36-16-15-35-20-5-1-2-6-20/h3-4,7-12,19-20,30,33H,1-2,5-6,13-18H2,(H2,31,32,34)
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| InChIKey |
GEMIWVGYYVLDJO-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