General Information of the Compound
| Compound ID |
CP0388489
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| Compound Name |
1-phenoxy-3-(1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-ylamino)propan-2-ol
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| Structure |
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| Formula |
C26H28N4O2S
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| Molecular Weight |
460.603
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| Canonical SMILES |
OC(CNC1CCN(CC1)c1ncnc2scc(-c3ccccc3)c12)COc1ccccc1
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| InChI |
InChI=1S/C26H28N4O2S/c31-21(16-32-22-9-5-2-6-10-22)15-27-20-11-13-30(14-12-20)25-24-23(19-7-3-1-4-8-19)17-33-26(24)29-18-28-25/h1-10,17-18,20-21,27,31H,11-16H2
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| InChIKey |
WCPUZUMGETWWNL-UHFFFAOYSA-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