General Information of the Compound
| Compound ID |
CP0393166
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| Compound Name |
N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-4-(4-octyl-1,3-thiazol-2-yl)benzenesulfonamide
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| Structure |
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| Formula |
C32H40N4O3S2
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| Molecular Weight |
592.831
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| Canonical SMILES |
CCCCCCCCc1csc(n1)-c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
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| InChI |
InChI=1S/C32H40N4O3S2/c1-2-3-4-5-6-7-10-29-24-40-32(35-29)26-13-17-30(18-14-26)41(38,39)36-28-15-11-25(12-16-28)19-21-34-23-31(37)27-9-8-20-33-22-27/h8-9,11-18,20,22,24,31,34,36-37H,2-7,10,19,21,23H2,1H3/t31-/m0/s1
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| InChIKey |
FKDJBADMHRTTEX-HKBQPEDESA-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