General Information of the Compound
| Compound ID |
CP0497588
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| Compound Name |
N-(3-benzyl-1,2,4,5-tetrahydro-3-benzazepin-7-yl)-4-butylbenzenesulfonamide
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| Structure |
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| Formula |
C27H32N2O2S
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| Molecular Weight |
448.632
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| Canonical SMILES |
CCCCc1ccc(cc1)S(=O)(=O)Nc1ccc2CCN(Cc3ccccc3)CCc2c1
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| InChI |
InChI=1S/C27H32N2O2S/c1-2-3-7-22-10-14-27(15-11-22)32(30,31)28-26-13-12-24-16-18-29(19-17-25(24)20-26)21-23-8-5-4-6-9-23/h4-6,8-15,20,28H,2-3,7,16-19,21H2,1H3
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| InChIKey |
FWROZMQRBMGKLZ-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