General Information of the Compound
| Compound ID |
CP0166797
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| Compound Name |
1-hexyl-3-[4-[4-[[(2R)-2-hydroxy-2-[4-hydroxy-3-(methanesulfonamido)phenyl]ethyl]amino]piperidin-1-yl]sulfonylphenyl]urea
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| Structure |
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| Formula |
C27H41N5O7S2
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| Molecular Weight |
611.787
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| Canonical SMILES |
CCCCCCNC(=O)Nc1ccc(cc1)S(=O)(=O)N1CCC(CC1)NC[C@H](O)c1ccc(O)c(NS(C)(=O)=O)c1
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| InChI |
InChI=1S/C27H41N5O7S2/c1-3-4-5-6-15-28-27(35)30-22-8-10-23(11-9-22)41(38,39)32-16-13-21(14-17-32)29-19-26(34)20-7-12-25(33)24(18-20)31-40(2,36)37/h7-12,18,21,26,29,31,33-34H,3-6,13-17,19H2,1-2H3,(H2,28,30,35)/t26-/m0/s1
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| InChIKey |
HUEJHSLVYFVRMN-SANMLTNESA-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