General Information of the Compound
| Compound ID |
CP0484552
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| Compound Name |
N-[3-(3,4-dihydro-1H-isoquinolin-2-yl)propyl]benzenesulfonamide
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| Structure |
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| Formula |
C18H22N2O2S
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| Molecular Weight |
330.453
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| Canonical SMILES |
O=S(=O)(NCCCN1CCc2ccccc2C1)c1ccccc1
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| InChI |
InChI=1S/C18H22N2O2S/c21-23(22,18-9-2-1-3-10-18)19-12-6-13-20-14-11-16-7-4-5-8-17(16)15-20/h1-5,7-10,19H,6,11-15H2
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| InChIKey |
NNJCGFLNBBECHE-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