General Information of the Compound
| Compound ID |
CP0411176
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| Compound Name |
4-butyl-N-[3-(oxolan-3-ylmethyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]benzenesulfonamide
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| Structure |
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| Formula |
C25H34N2O3S
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| Molecular Weight |
442.625
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| Canonical SMILES |
CCCCc1ccc(cc1)S(=O)(=O)Nc1ccc2CCN(CC3CCOC3)CCc2c1
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| InChI |
InChI=1S/C25H34N2O3S/c1-2-3-4-20-5-9-25(10-6-20)31(28,29)26-24-8-7-22-11-14-27(15-12-23(22)17-24)18-21-13-16-30-19-21/h5-10,17,21,26H,2-4,11-16,18-19H2,1H3
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| InChIKey |
VXQFXXSVHLFFQD-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