General Information of the Compound
| Compound ID |
CP0530324
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| Compound Name |
N-[4-[2-[[(2S)-2-hydroxy-3-(4-methoxyphenoxy)propyl]amino]ethyl]phenyl]-4-iodobenzenesulfonamide
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| Structure |
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| Formula |
C24H27IN2O5S
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| Molecular Weight |
582.46
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| Canonical SMILES |
COc1ccc(OC[C@@H](O)CNCCc2ccc(NS(=O)(=O)c3ccc(I)cc3)cc2)cc1
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| InChI |
InChI=1S/C24H27IN2O5S/c1-31-22-8-10-23(11-9-22)32-17-21(28)16-26-15-14-18-2-6-20(7-3-18)27-33(29,30)24-12-4-19(25)5-13-24/h2-13,21,26-28H,14-17H2,1H3/t21-/m0/s1
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| InChIKey |
JZTRKWPPNAMGBV-NRFANRHFSA-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