General Information of the Compound
| Compound ID |
CP0882007
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| Compound Name |
4'-(2-{[(2R)-2-Hydroxy-2-phenylethyl]amino}ethyl)-3-isobutyl-N-(methylsulfonyl)biphenyl-4-carboxamide Hydrochloride
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| Structure |
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| Formula |
C28H35ClN2O4S
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| Molecular Weight |
531.118
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| Canonical SMILES |
CC(C)Cc1cc(-c2ccc(CCNC[C@H](O)c3ccccc3)cc2)ccc1C(=O)NS(C)(=O)=O.Cl
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| InChI |
InChI=1S/C28H34N2O4S.ClH/c1-20(2)17-25-18-24(13-14-26(25)28(32)30-35(3,33)34)22-11-9-21(10-12-22)15-16-29-19-27(31)23-7-5-4-6-8-23;/h4-14,18,20,27,29,31H,15-17,19H2,1-3H3,(H,30,32);1H/t27-;/m0./s1
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| InChIKey |
UURQIYHVTCAMOZ-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: PT01494, Beta-2 adrenergic receptor
Protein ID: PT01493, Beta-3 adrenergic receptor
Protein ID: PT06057, Beta-3 adrenergic receptor