General Information of the Compound
| Compound ID |
CP0528041
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| Compound Name |
2-(1-(4-methoxyphenylsulfonyl)-1H-indol-3-yl)-N,N-dimethylethanamine
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| Structure |
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| Formula |
C19H22N2O3S
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| Molecular Weight |
358.463
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| Canonical SMILES |
COc1ccc(cc1)S(=O)(=O)n1cc(CCN(C)C)c2ccccc12
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| InChI |
InChI=1S/C19H22N2O3S/c1-20(2)13-12-15-14-21(19-7-5-4-6-18(15)19)25(22,23)17-10-8-16(24-3)9-11-17/h4-11,14H,12-13H2,1-3H3
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| InChIKey |
RWVDFDWHHRWZQF-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