General Information of the Compound
| Compound ID |
CP0456599
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| Compound Name |
N-[4-[2-[[(2S)-2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]ethyl]phenyl]naphthalene-2-sulfonamide
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| Structure |
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| Formula |
C27H28N2O5S
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| Molecular Weight |
492.597
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| Canonical SMILES |
O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc3ccccc3c2)cc1)COc1ccc(O)cc1
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| InChI |
InChI=1S/C27H28N2O5S/c30-24-10-12-26(13-11-24)34-19-25(31)18-28-16-15-20-5-8-23(9-6-20)29-35(32,33)27-14-7-21-3-1-2-4-22(21)17-27/h1-14,17,25,28-31H,15-16,18-19H2/t25-/m0/s1
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| InChIKey |
HDZVSJZZDJPNAH-VWLOTQADSA-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