General Information of the Compound
| Compound ID |
CP0872817
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| Compound Name |
4'-(2-{[(2R)-2-Hydroxy-2-phenylethyl]amino}ethyl)-3-methoxy-N-(methylsulfonyl)biphenyl-4-carboxamide Hydrochloride
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| Structure |
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| Formula |
C25H29ClN2O5S
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| Molecular Weight |
505.036
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| Canonical SMILES |
COc1cc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)ccc1C(=O)NS(C)(=O)=O.Cl
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| InChI |
InChI=1S/C25H28N2O5S.ClH/c1-32-24-16-21(12-13-22(24)25(29)27-33(2,30)31)19-10-8-18(9-11-19)14-15-26-17-23(28)20-6-4-3-5-7-20;/h3-13,16,23,26,28H,14-15,17H2,1-2H3,(H,27,29);1H/t23-;/m0./s1
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| InChIKey |
ZCODYRBQFJCCGX-BQAIUKQQSA-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