General Information of the Compound
| Compound ID |
CP0374130
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| Compound Name |
1-(3-octylphenyl)-N-phenyl-2,3-dihydro-1H-indole-5-sulfonamide
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| Structure |
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| Formula |
C28H34N2O2S
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| Molecular Weight |
462.659
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| Canonical SMILES |
CCCCCCCCc1cccc(c1)N1CCc2cc(ccc12)S(=O)(=O)Nc1ccccc1
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| InChI |
InChI=1S/C28H34N2O2S/c1-2-3-4-5-6-8-12-23-13-11-16-26(21-23)30-20-19-24-22-27(17-18-28(24)30)33(31,32)29-25-14-9-7-10-15-25/h7,9-11,13-18,21-22,29H,2-6,8,12,19-20H2,1H3
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| InChIKey |
QHOIUYGROPIQLD-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