General Information of the Compound
| Compound ID |
CP0372784
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| Compound Name |
(S)-4'-(2-{[2-Hydroxy-3-(4-hydroxyphenoxy)propyl]amino}ethyl)-2,2-diphenylacetanilide
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| Structure |
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| Formula |
C31H32N2O4
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| Molecular Weight |
496.607
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| Canonical SMILES |
O[C@@H](CNCCc1ccc(NC(=O)C(c2ccccc2)c2ccccc2)cc1)COc1ccc(O)cc1
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| InChI |
InChI=1S/C31H32N2O4/c34-27-15-17-29(18-16-27)37-22-28(35)21-32-20-19-23-11-13-26(14-12-23)33-31(36)30(24-7-3-1-4-8-24)25-9-5-2-6-10-25/h1-18,28,30,32,34-35H,19-22H2,(H,33,36)/t28-/m0/s1
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| InChIKey |
DGOYDQFAEGWOEH-NDEPHWFRSA-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: PT01494, Beta-2 adrenergic receptor
Protein ID: PT01493, Beta-3 adrenergic receptor