General Information of the Compound
| Compound ID |
CP0125773
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| Compound Name |
N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-4-(4-methyl-3-octyl-2-oxoimidazol-1-yl)benzenesulfonamide
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| Structure |
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| Formula |
C33H43N5O4S
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| Molecular Weight |
605.805
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| Canonical SMILES |
CCCCCCCCn1c(C)cn(-c2ccc(cc2)S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)c1=O
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| InChI |
InChI=1S/C33H43N5O4S/c1-3-4-5-6-7-8-22-37-26(2)25-38(33(37)40)30-15-17-31(18-16-30)43(41,42)36-29-13-11-27(12-14-29)19-21-35-24-32(39)28-10-9-20-34-23-28/h9-18,20,23,25,32,35-36,39H,3-8,19,21-22,24H2,1-2H3/t32-/m0/s1
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| InChIKey |
VHJGCEWLQCWKEL-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