General Information of the Compound
| Compound ID |
CP0492342
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| Compound Name |
N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-4-[5-[(3,4,5-trifluorophenyl)methyl]-1,2,4-oxadiazol-3-yl]benzenesulfonamide
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| Structure |
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| Formula |
C30H26F3N5O4S
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| Molecular Weight |
609.63
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| Canonical SMILES |
O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2noc(Cc3cc(F)c(F)c(F)c3)n2)cc1)c1cccnc1
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| InChI |
InChI=1S/C30H26F3N5O4S/c31-25-14-20(15-26(32)29(25)33)16-28-36-30(37-42-28)21-5-9-24(10-6-21)43(40,41)38-23-7-3-19(4-8-23)11-13-35-18-27(39)22-2-1-12-34-17-22/h1-10,12,14-15,17,27,35,38-39H,11,13,16,18H2/t27-/m0/s1
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| InChIKey |
CICBQAJZSVDNQP-MHZLTWQESA-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