General Information of the Compound
| Compound ID |
CP0851071
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| Compound Name |
4'-(2-{[(2R)-2-Hydroxy-2-pyridin-3-ylethyl]amino}ethyl)-3-isobutyl-N-(methylsulfonyl)biphenyl-4-carboxamide Dihydrochloride
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| Structure |
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| Formula |
C27H35Cl2N3O4S
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| Molecular Weight |
568.567
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| Canonical SMILES |
CC(C)Cc1cc(-c2ccc(CCNC[C@H](O)c3cccnc3)cc2)ccc1C(=O)NS(C)(=O)=O.Cl.Cl
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| InChI |
InChI=1S/C27H33N3O4S.2ClH/c1-19(2)15-24-16-22(10-11-25(24)27(32)30-35(3,33)34)21-8-6-20(7-9-21)12-14-29-18-26(31)23-5-4-13-28-17-23;;/h4-11,13,16-17,19,26,29,31H,12,14-15,18H2,1-3H3,(H,30,32);2*1H/t26-;;/m0../s1
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| InChIKey |
ZMGPCBPVOLCPPG-ROPHLPQBSA-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