General Information of the Compound
| Compound ID |
CP0417354
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| Compound Name |
(R)-4'-(2-(2-(3-aminophenyl)-2-hydroxyethylamino)ethyl)-3-isopropoxy-N-(methylsulfonyl)biphenyl-4-carboxamide
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| Structure |
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| Formula |
C27H33N3O5S
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| Molecular Weight |
511.644
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| Canonical SMILES |
CC(C)Oc1cc(ccc1C(=O)NS(C)(=O)=O)-c1ccc(CCNC[C@H](O)c2cccc(N)c2)cc1
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| InChI |
InChI=1S/C27H33N3O5S/c1-18(2)35-26-16-21(11-12-24(26)27(32)30-36(3,33)34)20-9-7-19(8-10-20)13-14-29-17-25(31)22-5-4-6-23(28)15-22/h4-12,15-16,18,25,29,31H,13-14,17,28H2,1-3H3,(H,30,32)/t25-/m0/s1
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| InChIKey |
GKJRPWPPZIETKU-VWLOTQADSA-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