General Information of the Compound
| Compound ID |
CP0550731
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| Compound Name |
N-[(5-chloro-2-propoxyphenyl)methyl]-3-phenyl-N-[2-[4-(prop-2-ynylsulfamoyl)phenyl]ethyl]propanamide
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| Structure |
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| Formula |
C30H33ClN2O4S
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| Molecular Weight |
553.124
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| Canonical SMILES |
CCCOc1ccc(Cl)cc1CN(CCc1ccc(cc1)S(=O)(=O)NCC#C)C(=O)CCc1ccccc1
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| InChI |
InChI=1S/C30H33ClN2O4S/c1-3-19-32-38(35,36)28-14-10-25(11-15-28)18-20-33(30(34)17-12-24-8-6-5-7-9-24)23-26-22-27(31)13-16-29(26)37-21-4-2/h1,5-11,13-16,22,32H,4,12,17-21,23H2,2H3
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| InChIKey |
AKPLYEVYSJTITR-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