General Information of the Compound
| Compound ID |
CP0431167
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| Compound Name |
(S)-1-[(2-{1-[(1-Benzylimidazol-2-yl)acetyl]-1,2,3,4-tetrahydroquinolin-6-yl}ethyl)-amino]-3-phenoxy-2-propanol
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| Structure |
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| Formula |
C32H36N4O3
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| Molecular Weight |
524.665
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| Canonical SMILES |
O[C@@H](CNCCc1ccc2N(CCCc2c1)C(=O)Cc1nccn1Cc1ccccc1)COc1ccccc1
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| InChI |
InChI=1S/C32H36N4O3/c37-28(24-39-29-11-5-2-6-12-29)22-33-16-15-25-13-14-30-27(20-25)10-7-18-36(30)32(38)21-31-34-17-19-35(31)23-26-8-3-1-4-9-26/h1-6,8-9,11-14,17,19-20,28,33,37H,7,10,15-16,18,21-24H2/t28-/m0/s1
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| InChIKey |
YMGPFSYBGCDOLQ-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