General Information of the Compound
| Compound ID |
CP0460849
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| Compound Name |
4-[(4-octyl-1,3-thiazol-2-yl)amino]-N-phenylbenzene-1-sulfonamide
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| Structure |
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| Formula |
C23H29N3O2S2
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| Molecular Weight |
443.638
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| Canonical SMILES |
CCCCCCCCc1csc(Nc2ccc(cc2)S(=O)(=O)Nc2ccccc2)n1
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| InChI |
InChI=1S/C23H29N3O2S2/c1-2-3-4-5-6-8-13-21-18-29-23(25-21)24-19-14-16-22(17-15-19)30(27,28)26-20-11-9-7-10-12-20/h7,9-12,14-18,26H,2-6,8,13H2,1H3,(H,24,25)
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| InChIKey |
KETXQKATKDHLAH-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