General Information of the Compound
| Compound ID |
CP0461167
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| Compound Name |
N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-4-(5-octyl-1,2,4-oxadiazol-3-yl)benzenesulfonamide
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| Structure |
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| Formula |
C31H39N5O4S
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| Molecular Weight |
577.751
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| Canonical SMILES |
CCCCCCCCc1nc(no1)-c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
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| InChI |
InChI=1S/C31H39N5O4S/c1-2-3-4-5-6-7-10-30-34-31(35-40-30)25-13-17-28(18-14-25)41(38,39)36-27-15-11-24(12-16-27)19-21-33-23-29(37)26-9-8-20-32-22-26/h8-9,11-18,20,22,29,33,36-37H,2-7,10,19,21,23H2,1H3/t29-/m0/s1
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| InChIKey |
QGNFYGRRQURMKJ-LJAQVGFWSA-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