General Information of the Compound
| Compound ID |
CP0851073
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| Compound Name |
4'-(2-{[(2R)-2-Hydroxy-2-phenylethyl]amino}ethyl)-N-(methylsulfonyl)-3-(propylsulfanyl)biphenyl-4-carboxamide Hydrochloride
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| Structure |
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| Formula |
C27H33ClN2O4S2
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| Molecular Weight |
549.158
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| Canonical SMILES |
CCCSc1cc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)ccc1C(=O)NS(C)(=O)=O.Cl
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| InChI |
InChI=1S/C27H32N2O4S2.ClH/c1-3-17-34-26-18-23(13-14-24(26)27(31)29-35(2,32)33)21-11-9-20(10-12-21)15-16-28-19-25(30)22-7-5-4-6-8-22;/h4-14,18,25,28,30H,3,15-17,19H2,1-2H3,(H,29,31);1H/t25-;/m0./s1
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| InChIKey |
YTFUWGQHTMHDEV-UQIIZPHYSA-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: PT01493, Beta-3 adrenergic receptor