General Information of the Compound
| Compound ID |
CP0469323
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| Compound Name |
4-(2-hydroxy-3-(1-(5-methylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-ylamino)propoxy)-2-(hydroxymethyl)phenol
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| Structure |
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| Formula |
C22H28N4O4S
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| Molecular Weight |
444.557
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| Canonical SMILES |
Cc1csc2ncnc(N3CCC(CC3)NCC(O)COc3ccc(O)c(CO)c3)c12
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| InChI |
InChI=1S/C22H28N4O4S/c1-14-12-31-22-20(14)21(24-13-25-22)26-6-4-16(5-7-26)23-9-17(28)11-30-18-2-3-19(29)15(8-18)10-27/h2-3,8,12-13,16-17,23,27-29H,4-7,9-11H2,1H3
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| InChIKey |
JOMRBIAUJPLIIS-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