General Information of the Compound
| Compound ID |
CP0504031
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| Compound Name |
4-(3-Butyl-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 |
C28H35N5O4S
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| Molecular Weight |
537.686
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| Canonical SMILES |
CCCCN1CCN(C1=O)c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
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| InChI |
InChI=1S/C28H35N5O4S/c1-2-3-17-32-18-19-33(28(32)35)25-10-12-26(13-11-25)38(36,37)31-24-8-6-22(7-9-24)14-16-30-21-27(34)23-5-4-15-29-20-23/h4-13,15,20,27,30-31,34H,2-3,14,16-19,21H2,1H3/t27-/m0/s1
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| InChIKey |
SDEMLBRQGBKSTH-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