General Information of the Compound
| Compound ID |
CP0508553
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| Compound Name |
N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-4-[2-oxo-3-(3-phenylpropyl)imidazolidin-1-yl]benzenesulfonamide
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| Structure |
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| Formula |
C33H37N5O4S
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| Molecular Weight |
599.757
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| Canonical SMILES |
O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)N2CCN(CCCc3ccccc3)C2=O)cc1)c1cccnc1
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| InChI |
InChI=1S/C33H37N5O4S/c39-32(28-9-4-19-34-24-28)25-35-20-18-27-10-12-29(13-11-27)36-43(41,42)31-16-14-30(15-17-31)38-23-22-37(33(38)40)21-5-8-26-6-2-1-3-7-26/h1-4,6-7,9-17,19,24,32,35-36,39H,5,8,18,20-23,25H2/t32-/m0/s1
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| InChIKey |
KVUTWAGBLCNQDK-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