General Information of the Compound
| Compound ID |
CP0452386
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| Compound Name |
1-[2-[[3-[4-(2-ethoxyethoxy)phenoxy]-2-hydroxypropyl]amino]ethyl]-3-(4-hydroxyphenyl)urea
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| Structure |
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| Formula |
C22H31N3O6
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| Molecular Weight |
433.505
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| Canonical SMILES |
CCOCCOc1ccc(OCC(O)CNCCNC(=O)Nc2ccc(O)cc2)cc1
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| InChI |
InChI=1S/C22H31N3O6/c1-2-29-13-14-30-20-7-9-21(10-8-20)31-16-19(27)15-23-11-12-24-22(28)25-17-3-5-18(26)6-4-17/h3-10,19,23,26-27H,2,11-16H2,1H3,(H2,24,25,28)
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| InChIKey |
LZAHCRHPGUIOBW-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
Protein ID: PT01493, Beta-3 adrenergic receptor