General Information of the Compound
| Compound ID |
CP0489870
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| Compound Name |
2-[2-(3,4-dimethoxyphenoxy)ethyl-[(4-fluorophenyl)methyl]amino]-N-(2-methylpropyl)acetamide
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| Structure |
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| Formula |
C23H31FN2O4
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| Molecular Weight |
418.509
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| Canonical SMILES |
COc1ccc(OCCN(CC(=O)NCC(C)C)Cc2ccc(F)cc2)cc1OC
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| InChI |
InChI=1S/C23H31FN2O4/c1-17(2)14-25-23(27)16-26(15-18-5-7-19(24)8-6-18)11-12-30-20-9-10-21(28-3)22(13-20)29-4/h5-10,13,17H,11-12,14-16H2,1-4H3,(H,25,27)
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| InChIKey |
QWSXRCNRONNHQX-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