General Information of the Compound
| Compound ID |
CP0850027
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| Compound Name |
5-(4-{4-[(S)-2-Hydroxy-3-(2-oxo-2H-benzoimidazol-4-yloxy)-propylamino]-piperidin-1-yl}-benzyl)-thiazolidine-2,4-dione
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| Structure |
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| Formula |
C25H27N5O5S
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| Molecular Weight |
509.588
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| Canonical SMILES |
O=C1N=c2cccc(OC[C@@H](O)CNC3CCN(c4ccc(CC5SC(=O)NC5=O)cc4)CC3)c2=N1
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| InChI |
InChI=1S/C25H27N5O5S/c31-18(14-35-20-3-1-2-19-22(20)28-24(33)27-19)13-26-16-8-10-30(11-9-16)17-6-4-15(5-7-17)12-21-23(32)29-25(34)36-21/h1-7,16,18,21,26,31H,8-14H2,(H,29,32,34)/t18-,21?/m0/s1
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| InChIKey |
CVADJTKHXFHXCN-YMXDCFFPSA-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