General Information of the Compound
| Compound ID |
CP0435332
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| Compound Name |
1-(2-allylphenoxy)-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 |
C29H32N4O2S
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| Molecular Weight |
500.668
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| Canonical SMILES |
OC(CNC1CCN(CC1)c1ncnc2scc(-c3ccccc3)c12)COc1ccccc1CC=C
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| InChI |
InChI=1S/C29H32N4O2S/c1-2-8-22-11-6-7-12-26(22)35-18-24(34)17-30-23-13-15-33(16-14-23)28-27-25(21-9-4-3-5-10-21)19-36-29(27)32-20-31-28/h2-7,9-12,19-20,23-24,30,34H,1,8,13-18H2
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| InChIKey |
KKPXMOIIKXJFCJ-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