General Information of the Compound
| Compound ID |
CP0524456
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| Compound Name |
N-[2-(diethylamino)ethyl]-2-methoxy-4-[[4-(trifluoromethylsulfanyl)phenyl]carbamoylamino]benzamide
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| Structure |
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| Formula |
C22H27F3N4O3S
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| Molecular Weight |
484.544
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| Canonical SMILES |
CCN(CC)CCNC(=O)c1ccc(NC(=O)Nc2ccc(SC(F)(F)F)cc2)cc1OC
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| InChI |
InChI=1S/C22H27F3N4O3S/c1-4-29(5-2)13-12-26-20(30)18-11-8-16(14-19(18)32-3)28-21(31)27-15-6-9-17(10-7-15)33-22(23,24)25/h6-11,14H,4-5,12-13H2,1-3H3,(H,26,30)(H2,27,28,31)
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| InChIKey |
JCXCWBRIOVQTLA-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