General Information of the Compound
| Compound ID |
CP0349886
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| Compound Name |
3,4-dimethoxy-N-[(2-methyl-1H-indol-3-yl)-(1,3-thiazol-2-yl)methyl]aniline
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| Structure |
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| Formula |
C21H21N3O2S
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| Molecular Weight |
379.485
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| Canonical SMILES |
COc1ccc(NC(c2nccs2)c2c(C)[nH]c3ccccc23)cc1OC
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| InChI |
InChI=1S/C21H21N3O2S/c1-13-19(15-6-4-5-7-16(15)23-13)20(21-22-10-11-27-21)24-14-8-9-17(25-2)18(12-14)26-3/h4-12,20,23-24H,1-3H3
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| InChIKey |
LLMRMIHLJLRSNK-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