General Information of the Compound
| Compound ID |
CP0399139
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| Compound Name |
4-[(2S)-2-{[(2R)-2-(3-Chlorophenyl)-2-hydroxyethyl]amino}propyl]-4-biphenylcarboxylic acid
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| Structure |
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| Formula |
C24H24ClNO3
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| Molecular Weight |
409.913
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| Canonical SMILES |
C[C@@H](Cc1ccc(cc1)-c1ccc(cc1)C(O)=O)NC[C@H](O)c1cccc(Cl)c1
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| InChI |
InChI=1S/C24H24ClNO3/c1-16(26-15-23(27)21-3-2-4-22(25)14-21)13-17-5-7-18(8-6-17)19-9-11-20(12-10-19)24(28)29/h2-12,14,16,23,26-27H,13,15H2,1H3,(H,28,29)/t16-,23-/m0/s1
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| InChIKey |
UDSXXZFTNZSJDL-HJPURHCSSA-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