General Information of the Compound
| Compound ID |
CP0411177
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| Compound Name |
4-butyl-N-(3-cyclopentyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)benzenesulfonamide
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| Structure |
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| Formula |
C25H34N2O2S
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| Molecular Weight |
426.626
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| Canonical SMILES |
CCCCc1ccc(cc1)S(=O)(=O)Nc1ccc2CCN(CCc2c1)C1CCCC1
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| InChI |
InChI=1S/C25H34N2O2S/c1-2-3-6-20-9-13-25(14-10-20)30(28,29)26-23-12-11-21-15-17-27(18-16-22(21)19-23)24-7-4-5-8-24/h9-14,19,24,26H,2-8,15-18H2,1H3
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| InChIKey |
XKLUUIKSEPOBCP-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