General Information of the Compound
| Compound ID |
CP0356812
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| Compound Name |
4-(4-chlorophenyl)-N-[2-[4-[[ethylcarbamoyl(methyl)amino]methyl]phenyl]ethyl]-2-fluorobenzamide
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| Structure |
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| Formula |
C26H27ClFN3O2
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| Molecular Weight |
467.972
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| Canonical SMILES |
CCNC(=O)N(C)Cc1ccc(CCNC(=O)c2ccc(cc2F)-c2ccc(Cl)cc2)cc1
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| InChI |
InChI=1S/C26H27ClFN3O2/c1-3-29-26(33)31(2)17-19-6-4-18(5-7-19)14-15-30-25(32)23-13-10-21(16-24(23)28)20-8-11-22(27)12-9-20/h4-13,16H,3,14-15,17H2,1-2H3,(H,29,33)(H,30,32)
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| InChIKey |
GBMCACAKPAOTOV-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