General Information of the Compound
| Compound ID |
CP0538241
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| Compound Name |
2-[5-methoxy-1-(4-methylphenyl)sulfonylindol-3-yl]-N,N-dimethylethanamine
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| Structure |
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| Formula |
C20H24N2O3S
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| Molecular Weight |
372.49
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| Canonical SMILES |
COc1ccc2n(cc(CCN(C)C)c2c1)S(=O)(=O)c1ccc(C)cc1
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| InChI |
InChI=1S/C20H24N2O3S/c1-15-5-8-18(9-6-15)26(23,24)22-14-16(11-12-21(2)3)19-13-17(25-4)7-10-20(19)22/h5-10,13-14H,11-12H2,1-4H3
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| InChIKey |
NYUGRZAAEIFCKO-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