General Information of the Compound
| Compound ID |
CP0421068
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| Compound Name |
4-[3-(3,4-Difluoro-benzyl)-2-oxo-imidazolidin-1-yl]-N-{4-[2-((R)-2-hydroxy-2-pyridin-3-yl-ethylamino)-ethyl]-phenyl}-benzenesulfonamide
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| Structure |
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| Formula |
C31H31F2N5O4S
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| Molecular Weight |
607.683
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| Canonical SMILES |
O[C@@H](CNCCc1ccc(NS(=O)(=O)c2ccc(cc2)N2CCN(Cc3ccc(F)c(F)c3)C2=O)cc1)c1cccnc1
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| InChI |
InChI=1S/C31H31F2N5O4S/c32-28-12-5-23(18-29(28)33)21-37-16-17-38(31(37)40)26-8-10-27(11-9-26)43(41,42)36-25-6-3-22(4-7-25)13-15-35-20-30(39)24-2-1-14-34-19-24/h1-12,14,18-19,30,35-36,39H,13,15-17,20-21H2/t30-/m0/s1
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| InChIKey |
VYGFYOQPAGZNSF-PMERELPUSA-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