General Information of the Compound
| Compound ID |
CP0544074
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| Compound Name |
2-(3,4-dimethoxyphenyl)-N-[3-(5-methylimidazol-1-yl)propyl]acetamide
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| Structure |
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| Formula |
C17H23N3O3
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| Molecular Weight |
317.389
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| Canonical SMILES |
COc1ccc(CC(=O)NCCCn2cncc2C)cc1OC
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| InChI |
InChI=1S/C17H23N3O3/c1-13-11-18-12-20(13)8-4-7-19-17(21)10-14-5-6-15(22-2)16(9-14)23-3/h5-6,9,11-12H,4,7-8,10H2,1-3H3,(H,19,21)
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| InChIKey |
YMTVHXYNSPQUBD-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