General Information of the Compound
| Compound ID |
CP0546921
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| Compound Name |
N-[(5-chloro-2-propoxyphenyl)methyl]-4-fluoro-N-[2-[4-(prop-2-ynylsulfamoyl)phenyl]ethyl]benzamide
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| Structure |
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| Formula |
C28H28ClFN2O4S
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| Molecular Weight |
543.06
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| Canonical SMILES |
CCCOc1ccc(Cl)cc1CN(CCc1ccc(cc1)S(=O)(=O)NCC#C)C(=O)c1ccc(F)cc1
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| InChI |
InChI=1S/C28H28ClFN2O4S/c1-3-16-31-37(34,35)26-12-5-21(6-13-26)15-17-32(28(33)22-7-10-25(30)11-8-22)20-23-19-24(29)9-14-27(23)36-18-4-2/h1,5-14,19,31H,4,15-18,20H2,2H3
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| InChIKey |
XUDDOZDERLRZIJ-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
Protein ID: PT07063, Interferon-inducible protein AIM2
Protein ID: PT03356, NACHT, LRR and PYD domains-containing protein 3
Protein ID: PT03614, NACHT, LRR and PYD domains-containing protein 3
Protein ID: PT06305, NLR family CARD domain-containing protein 4