General Information of the Compound
| Compound ID |
CP0448737
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| Compound Name |
N-[4-[2-[[(2R)-2-hydroxy-2-pyridin-3-ylethyl]amino]ethyl]phenyl]-4-[4-(3,4,5-trifluorophenyl)-1,3-thiazol-2-yl]benzenesulfonamide
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| Structure |
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| Formula |
C30H25F3N4O3S2
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| Molecular Weight |
610.683
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| Canonical SMILES |
O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)-c2nc(cs2)-c2cc(F)c(F)c(F)c2)cc1)c1cccnc1
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| InChI |
InChI=1S/C30H25F3N4O3S2/c31-25-14-22(15-26(32)29(25)33)27-18-41-30(36-27)20-5-9-24(10-6-20)42(39,40)37-23-7-3-19(4-8-23)11-13-35-17-28(38)21-2-1-12-34-16-21/h1-10,12,14-16,18,28,35,37-38H,11,13,17H2/t28-/m0/s1
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| InChIKey |
YUXRZMJBOMYGHS-NDEPHWFRSA-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