General Information of the Compound
| Compound ID |
CP0504611
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| Compound Name |
4-butyl-N-[3-(1-methylpiperidin-4-yl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]benzenesulfonamide
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| Structure |
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| Formula |
C26H37N3O2S
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| Molecular Weight |
455.668
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| Canonical SMILES |
CCCCc1ccc(cc1)S(=O)(=O)Nc1ccc2CCN(CCc2c1)C1CCN(C)CC1
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| InChI |
InChI=1S/C26H37N3O2S/c1-3-4-5-21-6-10-26(11-7-21)32(30,31)27-24-9-8-22-12-18-29(19-13-23(22)20-24)25-14-16-28(2)17-15-25/h6-11,20,25,27H,3-5,12-19H2,1-2H3
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| InChIKey |
ZYCQPGXVJBKVKJ-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