General Information of the Compound
| Compound ID |
CP0435325
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| Compound Name |
1-phenoxy-3-(1-(5-(thiophen-2-yl)thieno[2,3-d]pyrimidin-4-yl)piperidin-4-ylamino)propan-2-ol
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| Structure |
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| Formula |
C24H26N4O2S2
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| Molecular Weight |
466.632
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| Canonical SMILES |
OC(CNC1CCN(CC1)c1ncnc2scc(-c3cccs3)c12)COc1ccccc1
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| InChI |
InChI=1S/C24H26N4O2S2/c29-18(14-30-19-5-2-1-3-6-19)13-25-17-8-10-28(11-9-17)23-22-20(21-7-4-12-31-21)15-32-24(22)27-16-26-23/h1-7,12,15-18,25,29H,8-11,13-14H2
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| InChIKey |
PPXVGKZIQVRGBY-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