General Information of the Compound
| Compound ID |
CP0558207
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| Compound Name |
4-(2,4-difluorophenyl)-N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-4-oxobutanamide
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| Structure |
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| Formula |
C18H20F2N2O2S
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| Molecular Weight |
366.433
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| Canonical SMILES |
CN(C)C(CNC(=O)CCC(=O)c1ccc(F)cc1F)c1ccsc1
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| InChI |
InChI=1S/C18H20F2N2O2S/c1-22(2)16(12-7-8-25-11-12)10-21-18(24)6-5-17(23)14-4-3-13(19)9-15(14)20/h3-4,7-9,11,16H,5-6,10H2,1-2H3,(H,21,24)
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| InChIKey |
FTXXSGOASSCJPW-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