General Information of the Compound
| Compound ID |
CP0494932
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| Compound Name |
N-[4-(3,4-dihydro-1H-isoquinolin-2-yl)butyl]naphthalene-2-sulfonamide
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| Structure |
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| Formula |
C23H26N2O2S
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| Molecular Weight |
394.54
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| Canonical SMILES |
O=S(=O)(NCCCCN1CCc2ccccc2C1)c1ccc2ccccc2c1
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| InChI |
InChI=1S/C23H26N2O2S/c26-28(27,23-12-11-19-7-1-3-9-21(19)17-23)24-14-5-6-15-25-16-13-20-8-2-4-10-22(20)18-25/h1-4,7-12,17,24H,5-6,13-16,18H2
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| InChIKey |
XIGCTPFHYULDCT-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