General Information of the Compound
| Compound ID |
CP0441693
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| Compound Name |
N-[4-[[3-[4-[[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]sulfamoyl]phenyl]-1,2,4-oxadiazol-5-yl]methoxy]phenyl]acetamide
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| Structure |
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| Formula |
C32H32N6O6S
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| Molecular Weight |
628.711
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| Canonical SMILES |
CC(=O)Nc1ccc(OCc2nc(no2)-c2ccc(cc2)S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)cc1
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| InChI |
InChI=1S/C32H32N6O6S/c1-22(39)35-26-10-12-28(13-11-26)43-21-31-36-32(37-44-31)24-6-14-29(15-7-24)45(41,42)38-27-8-4-23(5-9-27)16-18-34-20-30(40)25-3-2-17-33-19-25/h2-15,17,19,30,34,38,40H,16,18,20-21H2,1H3,(H,35,39)/t30-/m0/s1
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| InChIKey |
WCKPXXMHDULKBS-PMERELPUSA-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