General Information of the Compound
| Compound ID |
CP0578129
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| Compound Name |
N-[(5-chloro-2-propoxyphenyl)methyl]-2-(4-fluorophenyl)-N-[2-[4-(prop-2-ynylsulfamoyl)phenyl]ethyl]acetamide
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| Structure |
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| Formula |
C29H30ClFN2O4S
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| Molecular Weight |
557.087
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| Canonical SMILES |
CCCOc1ccc(Cl)cc1CN(CCc1ccc(cc1)S(=O)(=O)NCC#C)C(=O)Cc1ccc(F)cc1
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| InChI |
InChI=1S/C29H30ClFN2O4S/c1-3-16-32-38(35,36)27-12-7-22(8-13-27)15-17-33(29(34)19-23-5-10-26(31)11-6-23)21-24-20-25(30)9-14-28(24)37-18-4-2/h1,5-14,20,32H,4,15-19,21H2,2H3
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| InChIKey |
GDFYDRCZPJLAKJ-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