General Information of the Compound
| Compound ID |
CP0399010
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| Compound Name |
4'-(2-((1R,2S)-1-hydroxy-1-(3-hydroxyphenyl)propan-2-ylamino)ethyl)-3-isopropoxy-N-(methylsulfonyl)biphenyl-4-carboxamide
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| Structure |
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| Formula |
C28H34N2O6S
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| Molecular Weight |
526.655
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| Canonical SMILES |
CC(C)Oc1cc(ccc1C(=O)NS(C)(=O)=O)-c1ccc(CCN[C@@H](C)[C@H](O)c2cccc(O)c2)cc1
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| InChI |
InChI=1S/C28H34N2O6S/c1-18(2)36-26-17-22(12-13-25(26)28(33)30-37(4,34)35)21-10-8-20(9-11-21)14-15-29-19(3)27(32)23-6-5-7-24(31)16-23/h5-13,16-19,27,29,31-32H,14-15H2,1-4H3,(H,30,33)/t19-,27-/m0/s1
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| InChIKey |
WDVIPJYFOMVESE-PPHZAIPVSA-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