General Information of the Compound
| Compound ID |
CP0675724
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| Compound Name |
1-(2-(3-(2-cyanophenoxy)-2-hydroxypropylamino)ethyl)-3-phenylurea
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| Structure |
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| Formula |
C19H24N4O4
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| Molecular Weight |
372.425
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| Canonical SMILES |
N#Cc1ccccc1OCC(O)CNCCNC(=O)Nc1ccccc1.O
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| InChI |
InChI=1S/C19H22N4O3.H2O/c20-12-15-6-4-5-9-18(15)26-14-17(24)13-21-10-11-22-19(25)23-16-7-2-1-3-8-16;/h1-9,17,21,24H,10-11,13-14H2,(H2,22,23,25);1H2
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| InChIKey |
MBZWOQRTHFWTTJ-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