General Information of the Compound
| Compound ID |
CP0163835
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| Compound Name |
4-(3-Hexyl-4-methyl-2-oxo-2,3-dihydro-imidazol-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 |
C31H39N5O4S
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| Molecular Weight |
577.751
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| Canonical SMILES |
CCCCCCn1c(C)cn(-c2ccc(cc2)S(=O)(=O)Nc2ccc(CCNC[C@H](O)c3cccnc3)cc2)c1=O
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| InChI |
InChI=1S/C31H39N5O4S/c1-3-4-5-6-20-35-24(2)23-36(31(35)38)28-13-15-29(16-14-28)41(39,40)34-27-11-9-25(10-12-27)17-19-33-22-30(37)26-8-7-18-32-21-26/h7-16,18,21,23,30,33-34,37H,3-6,17,19-20,22H2,1-2H3/t30-/m0/s1
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| InChIKey |
QCMDZLZPXIFUSR-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