General Information of the Compound
| Compound ID |
CP0414877
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| Compound Name |
N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-4-[5-(naphthalen-2-ylmethyl)-1,2,4-oxadiazol-3-yl]benzenesulfonamide
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| Structure |
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| Formula |
C34H31N5O4S
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| Molecular Weight |
605.72
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| Canonical SMILES |
O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2noc(Cc3ccc4ccccc4c3)n2)cc1)c1cccnc1
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| InChI |
InChI=1S/C34H31N5O4S/c40-32(29-6-3-18-35-22-29)23-36-19-17-24-8-13-30(14-9-24)39-44(41,42)31-15-11-27(12-16-31)34-37-33(43-38-34)21-25-7-10-26-4-1-2-5-28(26)20-25/h1-16,18,20,22,32,36,39-40H,17,19,21,23H2/t32-/m0/s1
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| InChIKey |
HCRWXYFCVVDWAC-YTTGMZPUSA-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