General Information of the Compound
| Compound ID |
CP0422958
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| Compound Name |
3-[((7S)-7-{[(2R)-2-Hydroxy-2-(3-pyridinyl)ethyl]amino}-5,6,7,8-tetrahydro-2-naphthalenyl)oxy]benzoic Acid
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| Structure |
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| Formula |
C24H24N2O4
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| Molecular Weight |
404.466
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| Canonical SMILES |
O[C@@H](CN[C@H]1CCc2ccc(Oc3cccc(c3)C(O)=O)cc2C1)c1cccnc1
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| InChI |
InChI=1S/C24H24N2O4/c27-23(18-4-2-10-25-14-18)15-26-20-8-6-16-7-9-22(13-19(16)11-20)30-21-5-1-3-17(12-21)24(28)29/h1-5,7,9-10,12-14,20,23,26-27H,6,8,11,15H2,(H,28,29)/t20-,23-/m0/s1
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| InChIKey |
NLRNLTPNVGUFQX-REWPJTCUSA-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