General Information of the Compound
| Compound ID |
CP0371987
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| Compound Name |
3-((7S)-7-{[(2R)-2-(3-Chlorophenyl)-2-hydroxyethyl]amino}-5,6,7,8-tetrahydro-2-naphthalenyl)benzoic Acid
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| Structure |
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| Formula |
C25H24ClNO3
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| Molecular Weight |
421.924
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| Canonical SMILES |
O[C@@H](CN[C@H]1CCc2ccc(cc2C1)-c1cccc(c1)C(O)=O)c1cccc(Cl)c1
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| InChI |
InChI=1S/C25H24ClNO3/c26-22-6-2-4-19(13-22)24(28)15-27-23-10-9-16-7-8-18(12-21(16)14-23)17-3-1-5-20(11-17)25(29)30/h1-8,11-13,23-24,27-28H,9-10,14-15H2,(H,29,30)/t23-,24-/m0/s1
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| InChIKey |
ICJSWPZZXISAKN-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: PT01493, Beta-3 adrenergic receptor