General Information of the Compound
| Compound ID |
CP0388618
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| Compound Name |
4-(2-hydroxy-3-(1-(thieno[2,3-d]pyrimidin-4-yl)piperidin-4-ylamino)propoxy)phenol
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| Structure |
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| Formula |
C20H24N4O3S
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| Molecular Weight |
400.504
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| Canonical SMILES |
OC(CNC1CCN(CC1)c1ncnc2sccc12)COc1ccc(O)cc1
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| InChI |
InChI=1S/C20H24N4O3S/c25-15-1-3-17(4-2-15)27-12-16(26)11-21-14-5-8-24(9-6-14)19-18-7-10-28-20(18)23-13-22-19/h1-4,7,10,13-14,16,21,25-26H,5-6,8-9,11-12H2
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| InChIKey |
MWSQIHKQICLHCJ-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