General Information of the Compound
| Compound ID |
CP0462134
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| Compound Name |
N-[4-[2-[[(2S)-3-[3-(acetamidomethyl)phenoxy]-2-hydroxypropyl]amino]ethyl]phenyl]benzamide
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| Structure |
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| Formula |
C27H31N3O4
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| Molecular Weight |
461.562
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| Canonical SMILES |
CC(=O)NCc1cccc(OC[C@@H](O)CNCCc2ccc(NC(=O)c3ccccc3)cc2)c1
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| InChI |
InChI=1S/C27H31N3O4/c1-20(31)29-17-22-6-5-9-26(16-22)34-19-25(32)18-28-15-14-21-10-12-24(13-11-21)30-27(33)23-7-3-2-4-8-23/h2-13,16,25,28,32H,14-15,17-19H2,1H3,(H,29,31)(H,30,33)/t25-/m0/s1
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| InChIKey |
YYVXCHYLHPVCKN-VWLOTQADSA-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