General Information of the Compound
| Compound ID |
CP0387893
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| Compound Name |
3-Amino-5-[((7S)-7-{[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino}-5,6,7,8-tetrahydro-2-naphthalenyl)oxy]benzoic Acid
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| Structure |
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| Formula |
C25H25ClN2O4
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| Molecular Weight |
452.938
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| Canonical SMILES |
Nc1cc(Oc2ccc3CC[C@@H](Cc3c2)NC[C@H](O)c2cccc(Cl)c2)cc(c1)C(O)=O
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| InChI |
InChI=1S/C25H25ClN2O4/c26-19-3-1-2-16(8-19)24(29)14-28-21-6-4-15-5-7-22(11-17(15)10-21)32-23-12-18(25(30)31)9-20(27)13-23/h1-3,5,7-9,11-13,21,24,28-29H,4,6,10,14,27H2,(H,30,31)/t21-,24-/m0/s1
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| InChIKey |
POWWGVCHYWFULU-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