General Information of the Compound
| Compound ID |
CP0421183
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| Compound Name |
N-ethyl-N-[3-(6-methoxy-3,4-dihydro-1H-isoquinolin-2-yl)propyl]-4-methylbenzenesulfonamide
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| Structure |
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| Formula |
C22H30N2O3S
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| Molecular Weight |
402.56
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| Canonical SMILES |
CCN(CCCN1CCc2cc(OC)ccc2C1)S(=O)(=O)c1ccc(C)cc1
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| InChI |
InChI=1S/C22H30N2O3S/c1-4-24(28(25,26)22-10-6-18(2)7-11-22)14-5-13-23-15-12-19-16-21(27-3)9-8-20(19)17-23/h6-11,16H,4-5,12-15,17H2,1-3H3
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| InChIKey |
UDCHSEYNPLSYCX-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