General Information of the Compound
| Compound ID |
CP0412043
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| Compound Name |
3-(2-hydroxy-3-(1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-ylamino)propoxy)-N-methylbenzamide
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| Structure |
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| Formula |
C28H31N5O3S
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| Molecular Weight |
517.655
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| Canonical SMILES |
CNC(=O)c1cccc(OCC(O)CNC2CCN(CC2)c2ncnc3scc(-c4ccccc4)c23)c1
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| InChI |
InChI=1S/C28H31N5O3S/c1-29-27(35)20-8-5-9-23(14-20)36-16-22(34)15-30-21-10-12-33(13-11-21)26-25-24(19-6-3-2-4-7-19)17-37-28(25)32-18-31-26/h2-9,14,17-18,21-22,30,34H,10-13,15-16H2,1H3,(H,29,35)
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| InChIKey |
FBXVPQASKLUHKP-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