General Information of the Compound
| Compound ID |
CP0387894
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| Compound Name |
4-((S)-7-((R)-2-hydroxy-2-(4-(trifluoromethyl)phenyl)ethylamino)-5,6,7,8-tetrahydronaphthalen-2-yl)benzoic acid
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| Structure |
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| Formula |
C26H24F3NO3
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| Molecular Weight |
455.476
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| Canonical SMILES |
O[C@@H](CN[C@H]1CCc2ccc(cc2C1)-c1ccc(cc1)C(O)=O)c1ccc(cc1)C(F)(F)F
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| InChI |
InChI=1S/C26H24F3NO3/c27-26(28,29)22-10-7-18(8-11-22)24(31)15-30-23-12-9-17-3-6-20(13-21(17)14-23)16-1-4-19(5-2-16)25(32)33/h1-8,10-11,13,23-24,30-31H,9,12,14-15H2,(H,32,33)/t23-,24-/m0/s1
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| InChIKey |
NMTYYCKPWNJZSQ-ZEQRLZLVSA-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