General Information of the Compound
| Compound ID |
CP0388475
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| Compound Name |
1-(3-ethylphenoxy)-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 |
C28H32N4O2S
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| Molecular Weight |
488.657
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| Canonical SMILES |
CCc1cccc(OCC(O)CNC2CCN(CC2)c2ncnc3scc(-c4ccccc4)c23)c1
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| InChI |
InChI=1S/C28H32N4O2S/c1-2-20-7-6-10-24(15-20)34-17-23(33)16-29-22-11-13-32(14-12-22)27-26-25(21-8-4-3-5-9-21)18-35-28(26)31-19-30-27/h3-10,15,18-19,22-23,29,33H,2,11-14,16-17H2,1H3
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| InChIKey |
CBIPUOCUMCGWSC-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