General Information of the Compound
| Compound ID |
CP0410337
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| Compound Name |
2-[4-(2-aminoethoxy)-3-chlorophenyl]-N-[(4-tert-butylphenyl)methyl]acetamide
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| Structure |
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| Formula |
C21H27ClN2O2
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| Molecular Weight |
374.912
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| Canonical SMILES |
CC(C)(C)c1ccc(CNC(=O)Cc2ccc(OCCN)c(Cl)c2)cc1
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| InChI |
InChI=1S/C21H27ClN2O2/c1-21(2,3)17-7-4-15(5-8-17)14-24-20(25)13-16-6-9-19(18(22)12-16)26-11-10-23/h4-9,12H,10-11,13-14,23H2,1-3H3,(H,24,25)
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| InChIKey |
NODMHWDONNZCSI-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