General Information of the Compound
| Compound ID |
CP0448298
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| Compound Name |
4-[methyl(4-octyl-1,3-thiazol-2-yl)amino]-N-phenylbenzene-1-sulfonamide
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| Structure |
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| Formula |
C24H31N3O2S2
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| Molecular Weight |
457.665
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| Canonical SMILES |
CCCCCCCCc1csc(n1)N(C)c1ccc(cc1)S(=O)(=O)Nc1ccccc1
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| InChI |
InChI=1S/C24H31N3O2S2/c1-3-4-5-6-7-9-14-21-19-30-24(25-21)27(2)22-15-17-23(18-16-22)31(28,29)26-20-12-10-8-11-13-20/h8,10-13,15-19,26H,3-7,9,14H2,1-2H3
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| InChIKey |
NICNBEWVHFQQFR-UHFFFAOYSA-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