General Information of the Compound
| Compound ID |
CP0851889
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| Compound Name |
(R)-2-(3-(3-(4-(6-(2-hydroxy-2-(4-hydroxy-3-(hydroxymethyl)phenyl)ethylamino)hexyloxy)butyl)phenyl)ureido)acetamide formate
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| Structure |
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| Formula |
C29H44N4O8
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| Molecular Weight |
576.691
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| Canonical SMILES |
NC(=O)CNC(=O)Nc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1.O=CO
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| InChI |
InChI=1S/C28H42N4O6.CH2O2/c29-27(36)19-31-28(37)32-24-10-7-9-21(16-24)8-3-6-15-38-14-5-2-1-4-13-30-18-26(35)22-11-12-25(34)23(17-22)20-33;2-1-3/h7,9-12,16-17,26,30,33-35H,1-6,8,13-15,18-20H2,(H2,29,36)(H2,31,32,37);1H,(H,2,3)/t26-;/m0./s1
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| InChIKey |
SDGUOTUXLDFRSG-SNYZSRNZSA-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