General Information of the Compound
| Compound ID |
CP0380549
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| Compound Name |
N-[4-[2-[[(2S)-2-hydroxy-3-(4-hydroxyphenoxy)propyl]amino]ethyl]phenyl]-4-methylbenzenesulfonamide
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| Structure |
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| Formula |
C24H28N2O5S
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| Molecular Weight |
456.564
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| Canonical SMILES |
Cc1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)COc2ccc(O)cc2)cc1
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| InChI |
InChI=1S/C24H28N2O5S/c1-18-2-12-24(13-3-18)32(29,30)26-20-6-4-19(5-7-20)14-15-25-16-22(28)17-31-23-10-8-21(27)9-11-23/h2-13,22,25-28H,14-17H2,1H3/t22-/m0/s1
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| InChIKey |
IELHNLYIXCIEEO-QFIPXVFZSA-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