General Information of the Compound
| Compound ID |
CP0419183
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| Compound Name |
4-((3S)-3-{[(2S)-2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino}butyl)phenol
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| Structure |
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| Formula |
C19H25NO4
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| Molecular Weight |
331.412
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| Canonical SMILES |
C[C@@H](CCc1ccc(O)cc1)NC[C@H](O)COc1ccc(O)cc1
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| InChI |
InChI=1S/C19H25NO4/c1-14(2-3-15-4-6-16(21)7-5-15)20-12-18(23)13-24-19-10-8-17(22)9-11-19/h4-11,14,18,20-23H,2-3,12-13H2,1H3/t14-,18-/m0/s1
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| InChIKey |
DYVIFGMZZBTHOZ-KSSFIOAISA-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