General Information of the Compound
| Compound ID |
CP0413767
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| Compound Name |
N-[1-[2-(3-acetamidophenoxy)ethyl]pyrrolidin-3-yl]-2-ethoxybenzamide
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| Structure |
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| Formula |
C23H29N3O4
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| Molecular Weight |
411.502
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| Canonical SMILES |
CCOc1ccccc1C(=O)NC1CCN(CCOc2cccc(NC(C)=O)c2)C1
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| InChI |
InChI=1S/C23H29N3O4/c1-3-29-22-10-5-4-9-21(22)23(28)25-19-11-12-26(16-19)13-14-30-20-8-6-7-18(15-20)24-17(2)27/h4-10,15,19H,3,11-14,16H2,1-2H3,(H,24,27)(H,25,28)
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| InChIKey |
LQSFQBRLPOTWNI-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