General Information of the Compound
| Compound ID |
CP0437888
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| Compound Name |
4-((7S)-7-{[(2R)-2-(4-Chlorophenyl)-2-hydroxyethyl]amino}-5,6,7,8-tetrahydro-2-naphthalenyl)-2-fluorobenzoic Acid
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| Structure |
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| Formula |
C25H23ClFNO3
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| Molecular Weight |
439.914
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| Canonical SMILES |
O[C@@H](CN[C@H]1CCc2ccc(cc2C1)-c1ccc(C(O)=O)c(F)c1)c1ccc(Cl)cc1
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| InChI |
InChI=1S/C25H23ClFNO3/c26-20-7-3-16(4-8-20)24(29)14-28-21-9-5-15-1-2-17(11-19(15)12-21)18-6-10-22(25(30)31)23(27)13-18/h1-4,6-8,10-11,13,21,24,28-29H,5,9,12,14H2,(H,30,31)/t21-,24-/m0/s1
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| InChIKey |
QCPSPGIFNYOACL-URXFXBBRSA-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