General Information of the Compound
| Compound ID |
CP0418663
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| Compound Name |
4-(1-hydroxy-2-(2-methyl-1-(3-(trifluoromethyl)phenyl)propan-2-ylamino)ethyl)-2-(hydroxymethyl)phenol
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| Structure |
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| Formula |
C20H24F3NO3
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| Molecular Weight |
383.41
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| Canonical SMILES |
CC(C)(Cc1cccc(c1)C(F)(F)F)NCC(O)c1ccc(O)c(CO)c1
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| InChI |
InChI=1S/C20H24F3NO3/c1-19(2,10-13-4-3-5-16(8-13)20(21,22)23)24-11-18(27)14-6-7-17(26)15(9-14)12-25/h3-9,18,24-27H,10-12H2,1-2H3
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| InChIKey |
DJEDYNVJZQDFIJ-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