General Information of the Compound
| Compound ID |
CP0473749
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| Compound Name |
4-((7S)-7-{[(2R)-2-Hydroxy-2-(3-pyridinyl)ethyl]amino}-5,6,7,8-tetrahydro-2-naphthalenyl)benzoic Acid
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| Structure |
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| Formula |
C24H24N2O3
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| Molecular Weight |
388.467
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| Canonical SMILES |
O[C@@H](CN[C@H]1CCc2ccc(cc2C1)-c1ccc(cc1)C(O)=O)c1cccnc1
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| InChI |
InChI=1S/C24H24N2O3/c27-23(20-2-1-11-25-14-20)15-26-22-10-9-17-5-8-19(12-21(17)13-22)16-3-6-18(7-4-16)24(28)29/h1-8,11-12,14,22-23,26-27H,9-10,13,15H2,(H,28,29)/t22-,23-/m0/s1
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| InChIKey |
MEEVTPQSLOSEEA-GOTSBHOMSA-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