General Information of the Compound
| Compound ID |
CP0374421
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| Compound Name |
3-(Acetylamino)-5-[((7S)-7-{[(2R)-2-(3-chlorophenyl)-2-hydroxyethyl]amino}-5,6,7,8-tetrahydro-2-naphthalenyl)oxy]benzoicAcid
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| Structure |
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| Formula |
C27H27ClN2O5
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| Molecular Weight |
494.975
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| Canonical SMILES |
CC(=O)Nc1cc(Oc2ccc3CC[C@@H](Cc3c2)NC[C@H](O)c2cccc(Cl)c2)cc(c1)C(O)=O
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| InChI |
InChI=1S/C27H27ClN2O5/c1-16(31)30-23-11-20(27(33)34)13-25(14-23)35-24-8-6-17-5-7-22(10-19(17)12-24)29-15-26(32)18-3-2-4-21(28)9-18/h2-4,6,8-9,11-14,22,26,29,32H,5,7,10,15H2,1H3,(H,30,31)(H,33,34)/t22-,26-/m0/s1
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| InChIKey |
VYGMEGYBTCBOAW-NVQXNPDNSA-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