General Information of the Compound
| Compound ID |
CP0421798
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| Compound Name |
2-{1-[(3,4-dimethoxybenzene)sulfonyl]-1H-indol-3-yl}ethan-1-amine
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| Structure |
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| Formula |
C18H20N2O4S
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| Molecular Weight |
360.435
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| Canonical SMILES |
COc1ccc(cc1OC)S(=O)(=O)n1cc(CCN)c2ccccc12
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| InChI |
InChI=1S/C18H20N2O4S/c1-23-17-8-7-14(11-18(17)24-2)25(21,22)20-12-13(9-10-19)15-5-3-4-6-16(15)20/h3-8,11-12H,9-10,19H2,1-2H3
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| InChIKey |
NXNLNVGGTUZXJZ-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