General Information of the Compound
| Compound ID |
CP0849999
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| Compound Name |
(R)-N-cyclopentyl-2-(3-(3-(4-(6-(2-hydroxy-2-(4-hydroxy-3-(hydroxymethyl)phenyl)ethylamino)hexyloxy)butyl)phenyl)ureido)acetamide acetate
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| Structure |
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| Formula |
C35H54N4O8
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| Molecular Weight |
658.837
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| Canonical SMILES |
CC(=O)O.O=C(CNC(=O)Nc1cccc(CCCCOCCCCCCNC[C@H](O)c2ccc(O)c(CO)c2)c1)NC1CCCC1
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| InChI |
InChI=1S/C33H50N4O6.C2H4O2/c38-24-27-21-26(15-16-30(27)39)31(40)22-34-17-6-1-2-7-18-43-19-8-5-10-25-11-9-14-29(20-25)37-33(42)35-23-32(41)36-28-12-3-4-13-28;1-2(3)4/h9,11,14-16,20-21,28,31,34,38-40H,1-8,10,12-13,17-19,22-24H2,(H,36,41)(H2,35,37,42);1H3,(H,3,4)/t31-;/m0./s1
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| InChIKey |
JKXCQFLSRBVZSF-YNMZEGNTSA-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