General Information of the Compound
| Compound ID |
CP0422412
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| Compound Name |
N-[4-[2-[[(2S)-2-hydroxy-3-pyridin-3-yloxypropyl]amino]ethyl]phenyl]benzenesulfonamide
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| Structure |
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| Formula |
C22H25N3O4S
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| Molecular Weight |
427.526
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| Canonical SMILES |
O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccccc2)cc1)COc1cccnc1
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| InChI |
InChI=1S/C22H25N3O4S/c26-20(17-29-21-5-4-13-23-16-21)15-24-14-12-18-8-10-19(11-9-18)25-30(27,28)22-6-2-1-3-7-22/h1-11,13,16,20,24-26H,12,14-15,17H2/t20-/m0/s1
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| InChIKey |
VNQDFZASGRYFMC-FQEVSTJZSA-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