General Information of the Compound
| Compound ID |
CP0924345
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| Compound Name |
N-(3-{[(2-{[6-({(2R)-2-Hydroxy-2-[4-hydroxy-3-(hydroxymethyl)-phenyl]ethyl}amino)hexyl]oxy}ethyl)oxy]methyl}phenyl)urea Acetate salt
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| Structure |
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| Formula |
C27H41N3O8
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| Molecular Weight |
535.638
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| Canonical SMILES |
CC(=O)O.NC(=O)Nc1cccc(COCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1
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| InChI |
InChI=1S/C25H37N3O6.C2H4O2/c26-25(32)28-22-7-5-6-19(14-22)18-34-13-12-33-11-4-2-1-3-10-27-16-24(31)20-8-9-23(30)21(15-20)17-29;1-2(3)4/h5-9,14-15,24,27,29-31H,1-4,10-13,16-18H2,(H3,26,28,32);1H3,(H,3,4)/t24-;/m0./s1
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| InChIKey |
QVUFRLYDTHLHTI-JIDHJSLPSA-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