General Information of the Compound
| Compound ID |
CP0441758
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| Compound Name |
2-[1-(2,5-dimethoxyphenyl)sulfonyl-7-methoxyindol-3-yl]-N,N-dimethylethanamine
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| Structure |
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| Formula |
C21H26N2O5S
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| Molecular Weight |
418.515
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| Canonical SMILES |
COc1ccc(OC)c(c1)S(=O)(=O)n1cc(CCN(C)C)c2cccc(OC)c12
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| InChI |
InChI=1S/C21H26N2O5S/c1-22(2)12-11-15-14-23(21-17(15)7-6-8-19(21)28-5)29(24,25)20-13-16(26-3)9-10-18(20)27-4/h6-10,13-14H,11-12H2,1-5H3
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| InChIKey |
AVVGRPNMDFPACP-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