General Information of the Compound
| Compound ID |
CP0554968
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| Compound Name |
4-[(4-tert-butylphenoxy)methyl]-N-(1-propan-2-ylpyrrolidin-3-yl)benzamide
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| Structure |
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| Formula |
C25H34N2O2
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| Molecular Weight |
394.559
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| Canonical SMILES |
CC(C)N1CCC(C1)NC(=O)c1ccc(COc2ccc(cc2)C(C)(C)C)cc1
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| InChI |
InChI=1S/C25H34N2O2/c1-18(2)27-15-14-22(16-27)26-24(28)20-8-6-19(7-9-20)17-29-23-12-10-21(11-13-23)25(3,4)5/h6-13,18,22H,14-17H2,1-5H3,(H,26,28)
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| InChIKey |
JMJDXUSMRWZRCX-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