General Information of the Compound
| Compound ID |
CP0375151
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| Compound Name |
N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-4-[5-[(4-pyridin-2-ylphenyl)methyl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide
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| Structure |
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| Formula |
C35H32N6O4S
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| Molecular Weight |
632.746
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| Canonical SMILES |
O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2noc(Cc3ccc(cc3)-c3ccccn3)n2)cc1)c1cccnc1
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| InChI |
InChI=1S/C35H32N6O4S/c42-33(29-4-3-19-36-23-29)24-37-21-18-25-8-14-30(15-9-25)41-46(43,44)31-16-12-28(13-17-31)35-39-34(45-40-35)22-26-6-10-27(11-7-26)32-5-1-2-20-38-32/h1-17,19-20,23,33,37,41-42H,18,21-22,24H2/t33-/m0/s1
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| InChIKey |
SLIMEVKNMJKEMU-XIFFEERXSA-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