General Information of the Compound
| Compound ID |
CP0417355
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| Compound Name |
(R)-4'-(2-(2-hydroxy-2-(4-hydroxy-3-(methylsulfonamido)phenyl)ethylamino)ethyl)-3-isopropoxy-N-(methylsulfonyl)biphenyl-4-carboxamide
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| Structure |
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| Formula |
C28H35N3O8S2
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| Molecular Weight |
605.735
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| Canonical SMILES |
CC(C)Oc1cc(ccc1C(=O)NS(C)(=O)=O)-c1ccc(CCNC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)cc1
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| InChI |
InChI=1S/C28H35N3O8S2/c1-18(2)39-27-16-21(9-11-23(27)28(34)31-41(4,37)38)20-7-5-19(6-8-20)13-14-29-17-26(33)22-10-12-25(32)24(15-22)30-40(3,35)36/h5-12,15-16,18,26,29-30,32-33H,13-14,17H2,1-4H3,(H,31,34)/t26-/m0/s1
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| InChIKey |
IJRUXEBHYFAHRG-SANMLTNESA-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