General Information of the Compound
| Compound ID |
CP0422542
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| Compound Name |
1-[2-[[3-[4-[2-[2-(4-fluorophenyl)ethoxy]ethoxy]phenoxy]-2-hydroxypropyl]amino]ethyl]-3-(4-hydroxyphenyl)urea
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| Structure |
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| Formula |
C28H34FN3O6
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| Molecular Weight |
527.593
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| Canonical SMILES |
OC(CNCCNC(=O)Nc1ccc(O)cc1)COc1ccc(OCCOCCc2ccc(F)cc2)cc1
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| InChI |
InChI=1S/C28H34FN3O6/c29-22-3-1-21(2-4-22)13-16-36-17-18-37-26-9-11-27(12-10-26)38-20-25(34)19-30-14-15-31-28(35)32-23-5-7-24(33)8-6-23/h1-12,25,30,33-34H,13-20H2,(H2,31,32,35)
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| InChIKey |
QBHWFJABBIHHGB-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