General Information of the Compound
| Compound ID |
CP0406380
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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)methyl]benzenesulfonamide
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| Structure |
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| Formula |
C33H42N4O3S2
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| Molecular Weight |
606.858
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| Canonical SMILES |
CCCCCCCCc1csc(Cc2ccc(cc2)S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)n1
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| InChI |
InChI=1S/C33H42N4O3S2/c1-2-3-4-5-6-7-10-30-25-41-33(36-30)22-27-13-17-31(18-14-27)42(39,40)37-29-15-11-26(12-16-29)19-21-35-24-32(38)28-9-8-20-34-23-28/h8-9,11-18,20,23,25,32,35,37-38H,2-7,10,19,21-22,24H2,1H3/t32-/m0/s1
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| InChIKey |
QABNYJAOJSVFTR-YTTGMZPUSA-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