General Information of the Compound
| Compound ID |
CP0559249
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| Compound Name |
N-tert-butyl-3-[3,4-dichloro-N-[(4-fluorophenyl)methyl]anilino]propanamide
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| Structure |
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| Formula |
C20H23Cl2FN2O
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| Molecular Weight |
397.321
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| Canonical SMILES |
CC(C)(C)NC(=O)CCN(Cc1ccc(F)cc1)c1ccc(Cl)c(Cl)c1
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| InChI |
InChI=1S/C20H23Cl2FN2O/c1-20(2,3)24-19(26)10-11-25(13-14-4-6-15(23)7-5-14)16-8-9-17(21)18(22)12-16/h4-9,12H,10-11,13H2,1-3H3,(H,24,26)
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| InChIKey |
VULXRLOQEIQWSG-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