General Information of the Compound
| Compound ID |
CP0420930
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| Compound Name |
4-[3-(2,2-Dimethyl-hexyl)-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 |
C32H43N5O4S
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| Molecular Weight |
593.794
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| Canonical SMILES |
CCCCC(C)(C)CN1CCN(C1=O)c1ccc(cc1)S(=O)(=O)Nc1ccc(CCNC[C@H](O)c2cccnc2)cc1
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| InChI |
InChI=1S/C32H43N5O4S/c1-4-5-17-32(2,3)24-36-20-21-37(31(36)39)28-12-14-29(15-13-28)42(40,41)35-27-10-8-25(9-11-27)16-19-34-23-30(38)26-7-6-18-33-22-26/h6-15,18,22,30,34-35,38H,4-5,16-17,19-21,23-24H2,1-3H3/t30-/m0/s1
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| InChIKey |
JWEKMVPNQIFETE-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