General Information of the Compound
| Compound ID |
CP0447008
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| Compound Name |
1-[2-[[3-[4-(2-cyclopentyloxyethoxy)phenoxy]-2-hydroxypropyl]amino]ethyl]-3-(4-methylphenyl)urea
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| Structure |
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| Formula |
C26H37N3O5
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| Molecular Weight |
471.598
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| Canonical SMILES |
Cc1ccc(NC(=O)NCCNCC(O)COc2ccc(OCCOC3CCCC3)cc2)cc1
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| InChI |
InChI=1S/C26H37N3O5/c1-20-6-8-21(9-7-20)29-26(31)28-15-14-27-18-22(30)19-34-25-12-10-24(11-13-25)33-17-16-32-23-4-2-3-5-23/h6-13,22-23,27,30H,2-5,14-19H2,1H3,(H2,28,29,31)
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| InChIKey |
BWRYWVZCQTUAKZ-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