General Information of the Compound
| Compound ID |
CP0388477
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| Compound Name |
(S)-4'-(2-{[2-Hydroxy-3-(4-hydroxyphenoxy)propyl]amino}ethyl)-2-(pyrimidin-2-yl)acetanilide
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| Structure |
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| Formula |
C23H26N4O4
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| Molecular Weight |
422.485
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| Canonical SMILES |
O[C@@H](CNCCc1ccc(NC(=O)Cc2ncccn2)cc1)COc1ccc(O)cc1
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| InChI |
InChI=1S/C23H26N4O4/c28-19-6-8-21(9-7-19)31-16-20(29)15-24-13-10-17-2-4-18(5-3-17)27-23(30)14-22-25-11-1-12-26-22/h1-9,11-12,20,24,28-29H,10,13-16H2,(H,27,30)/t20-/m0/s1
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| InChIKey |
VGOHPOXEMDJOGT-FQEVSTJZSA-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