General Information of the Compound
| Compound ID |
CP0882009
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| Compound Name |
4'-(2-{[(2R)-2-Hydroxy-2-phenylethyl]amino}ethyl)-N-(methylsulfonyl)-3-(pentyloxy)biphenyl-4-carboxamide Hydrochloride
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| Structure |
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| Formula |
C29H37ClN2O5S
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| Molecular Weight |
561.144
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| Canonical SMILES |
CCCCCOc1cc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)ccc1C(=O)NS(C)(=O)=O.Cl
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| InChI |
InChI=1S/C29H36N2O5S.ClH/c1-3-4-8-19-36-28-20-25(15-16-26(28)29(33)31-37(2,34)35)23-13-11-22(12-14-23)17-18-30-21-27(32)24-9-6-5-7-10-24;/h5-7,9-16,20,27,30,32H,3-4,8,17-19,21H2,1-2H3,(H,31,33);1H/t27-;/m0./s1
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| InChIKey |
OCONTAZDNYYMFR-YCBFMBTMSA-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