General Information of the Compound
| Compound ID |
CP0389977
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| Compound Name |
4-{2-[((2R)-2-Hydroxy-2-{4-hydroxy-3-[(methylsulfonyl)amino]-phenyl}ethyl)amino]ethyl}-3-isopropoxy-4-biphenylcarboxylic acid
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| Structure |
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| Formula |
C27H32N2O7S
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| Molecular Weight |
528.627
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| Canonical SMILES |
CC(C)Oc1cc(ccc1C(O)=O)-c1ccc(CCNC[C@H](O)c2ccc(O)c(NS(C)(=O)=O)c2)cc1
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| InChI |
InChI=1S/C27H32N2O7S/c1-17(2)36-26-15-20(8-10-22(26)27(32)33)19-6-4-18(5-7-19)12-13-28-16-25(31)21-9-11-24(30)23(14-21)29-37(3,34)35/h4-11,14-15,17,25,28-31H,12-13,16H2,1-3H3,(H,32,33)/t25-/m0/s1
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| InChIKey |
XSYODGSTDUWSRP-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