General Information of the Compound
| Compound ID |
CP0372777
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| Compound Name |
4-((7S)-7-{[(2R)-2-Hydroxy-2-(4-methylphenyl)ethyl]amino}-5,6,7,8-tetrahydro-2-naphthalenyl)benzoic Acid
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| Structure |
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| Formula |
C26H27NO3
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| Molecular Weight |
401.506
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| Canonical SMILES |
Cc1ccc(cc1)[C@@H](O)CN[C@H]1CCc2ccc(cc2C1)-c1ccc(cc1)C(O)=O
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| InChI |
InChI=1S/C26H27NO3/c1-17-2-4-20(5-3-17)25(28)16-27-24-13-12-19-8-11-22(14-23(19)15-24)18-6-9-21(10-7-18)26(29)30/h2-11,14,24-25,27-28H,12-13,15-16H2,1H3,(H,29,30)/t24-,25-/m0/s1
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| InChIKey |
FKGSYMRBSGQPKT-DQEYMECFSA-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