General Information of the Compound
| Compound ID |
CP0885826
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| Compound Name |
5-(4-{4-[2-Hydroxy-2-(2-oxo-1,2-dihydro-quinolin-5-yloxy)-ethylamino]-piperidin-1-yl}-benzyl)-thiazolidine-2,4-dione
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| Structure |
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| Formula |
C26H28N4O5S
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| Molecular Weight |
508.6
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| Canonical SMILES |
O=C1NC(=O)C(Cc2ccc(N3CCC(NC[C@H](O)Oc4cccc5nc(O)ccc45)CC3)cc2)S1
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| InChI |
InChI=1S/C26H28N4O5S/c31-23-9-8-19-20(28-23)2-1-3-21(19)35-24(32)15-27-17-10-12-30(13-11-17)18-6-4-16(5-7-18)14-22-25(33)29-26(34)36-22/h1-9,17,22,24,27,32H,10-15H2,(H,28,31)(H,29,33,34)/t22?,24-/m1/s1
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| InChIKey |
CRWDOPXADBGFLN-SYIFMXBLSA-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: PT01493, Beta-3 adrenergic receptor