General Information of the Compound
| Compound ID |
CP0484987
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| Compound Name |
4-((2R)-2-{[(2R)-2-Hydroxy-2-(3-pyridinyl)ethyl]amino}propyl)-1,1-biphenyl-4-carboxylic acid
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| Structure |
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| Formula |
C23H24N2O3
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| Molecular Weight |
376.456
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| Canonical SMILES |
C[C@H](Cc1ccc(cc1)-c1ccc(cc1)C(O)=O)NC[C@H](O)c1cccnc1
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| InChI |
InChI=1S/C23H24N2O3/c1-16(25-15-22(26)21-3-2-12-24-14-21)13-17-4-6-18(7-5-17)19-8-10-20(11-9-19)23(27)28/h2-12,14,16,22,25-26H,13,15H2,1H3,(H,27,28)/t16-,22+/m1/s1
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| InChIKey |
OTLVQMFMIFVEFP-ZHRRBRCNSA-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: PT01494, Beta-2 adrenergic receptor
Protein ID: PT01493, Beta-3 adrenergic receptor