General Information of the Compound
| Compound ID |
CP0510453
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| Compound Name |
4-butyl-N-[3-(thiophen-2-ylmethyl)-1,2,4,5-tetrahydro-3-benzazepin-7-yl]benzenesulfonamide
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| Structure |
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| Formula |
C25H30N2O2S2
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| Molecular Weight |
454.661
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| Canonical SMILES |
CCCCc1ccc(cc1)S(=O)(=O)Nc1ccc2CCN(Cc3cccs3)CCc2c1
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| InChI |
InChI=1S/C25H30N2O2S2/c1-2-3-5-20-7-11-25(12-8-20)31(28,29)26-23-10-9-21-13-15-27(16-14-22(21)18-23)19-24-6-4-17-30-24/h4,6-12,17-18,26H,2-3,5,13-16,19H2,1H3
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| InChIKey |
NCLAAFBKONZYBL-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