General Information of the Compound
| Compound ID |
CP0388521
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| Compound Name |
1-(4-(hydroxymethyl)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 |
C27H30N4O3S
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| Molecular Weight |
490.629
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| Canonical SMILES |
OCc1ccc(OCC(O)CNC2CCN(CC2)c2ncnc3scc(-c4ccccc4)c23)cc1
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| InChI |
InChI=1S/C27H30N4O3S/c32-15-19-6-8-23(9-7-19)34-16-22(33)14-28-21-10-12-31(13-11-21)26-25-24(20-4-2-1-3-5-20)17-35-27(25)30-18-29-26/h1-9,17-18,21-22,28,32-33H,10-16H2
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| InChIKey |
WBXXCRJNZCCGHK-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: PT01494, Beta-2 adrenergic receptor
Protein ID: PT01493, Beta-3 adrenergic receptor