General Information of the Compound
| Compound ID |
CP0400940
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| Compound Name |
4-(2-{[(2R)-2-Hydroxy-2-phenylethyl]amino}-2-methylpropyl)-3-isopropoxy-4-biphenylcarboxylic acid
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| Structure |
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| Formula |
C28H33NO4
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| Molecular Weight |
447.575
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| Canonical SMILES |
CC(C)Oc1cc(ccc1C(O)=O)-c1ccc(CC(C)(C)NC[C@H](O)c2ccccc2)cc1
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| InChI |
InChI=1S/C28H33NO4/c1-19(2)33-26-16-23(14-15-24(26)27(31)32)21-12-10-20(11-13-21)17-28(3,4)29-18-25(30)22-8-6-5-7-9-22/h5-16,19,25,29-30H,17-18H2,1-4H3,(H,31,32)/t25-/m0/s1
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| InChIKey |
RCPHVKROPULBDN-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