General Information of the Compound
| Compound ID |
CP0472738
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| Compound Name |
4-hydroxy-2-(2-hydroxy-3-(1-(5-phenylthieno[2,3-d]pyrimidin-4-yl)piperidin-4-ylamino)propoxy)benzoic acid
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| Structure |
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| Formula |
C27H28N4O5S
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| Molecular Weight |
520.611
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| Canonical SMILES |
OC(CNC1CCN(CC1)c1ncnc2scc(-c3ccccc3)c12)COc1cc(O)ccc1C(O)=O
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| InChI |
InChI=1S/C27H28N4O5S/c32-19-6-7-21(27(34)35)23(12-19)36-14-20(33)13-28-18-8-10-31(11-9-18)25-24-22(17-4-2-1-3-5-17)15-37-26(24)30-16-29-25/h1-7,12,15-16,18,20,28,32-33H,8-11,13-14H2,(H,34,35)
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| InChIKey |
DXTVQMWUIHXZBC-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