General Information of the Compound
| Compound ID |
CP0870051
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| Compound Name |
1-(2-(3-(4-(2-(Cyclopropylmethoxy)ethoxy)phenoxy)-2-hydroxypropylamino)ethyl)-3-(4-hydroxyphenyl)urea Hydroformate
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| Structure |
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| Formula |
C25H35N3O8
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| Molecular Weight |
505.568
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| Canonical SMILES |
O=C(NCCNCC(O)COc1ccc(OCCOCC2CC2)cc1)Nc1ccc(O)cc1.O=CO
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| InChI |
InChI=1S/C24H33N3O6.CH2O2/c28-20-5-3-19(4-6-20)27-24(30)26-12-11-25-15-21(29)17-33-23-9-7-22(8-10-23)32-14-13-31-16-18-1-2-18;2-1-3/h3-10,18,21,25,28-29H,1-2,11-17H2,(H2,26,27,30);1H,(H,2,3)
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| InChIKey |
VKWFJDUMSGXDRP-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