General Information of the Compound
| Compound ID |
CP0499009
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| Compound Name |
4-(1-hydroxy-2-(2-methyl-1-phenylpropan-2-ylamino)ethyl)-2-(hydroxymethyl)phenol
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| Structure |
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| Formula |
C19H25NO3
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| Molecular Weight |
315.413
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| Canonical SMILES |
CC(C)(Cc1ccccc1)NCC(O)c1ccc(O)c(CO)c1
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| InChI |
InChI=1S/C19H25NO3/c1-19(2,11-14-6-4-3-5-7-14)20-12-18(23)15-8-9-17(22)16(10-15)13-21/h3-10,18,20-23H,11-13H2,1-2H3
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| InChIKey |
VQEMFMLRSUWWRL-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