General Information of the Compound
| Compound ID |
CP0450895
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| Compound Name |
6-(3-chlorophenyl)-3-[2-(3,3-difluoropiperidin-1-yl)-2-oxoethyl]-4-oxo-N-[3-[4-(trifluoromethyl)phenoxy]propyl]quinazoline-7-carboxamide
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| Formula |
C32H28ClF5N4O4
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| Molecular Weight |
663.043
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| Canonical SMILES |
FC(F)(F)c1ccc(OCCCNC(=O)c2cc3ncn(CC(=O)N4CCCC(F)(F)C4)c(=O)c3cc2-c2cccc(Cl)c2)cc1
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| InChI |
InChI=1S/C32H28ClF5N4O4/c33-22-5-1-4-20(14-22)24-15-26-27(40-19-42(30(26)45)17-28(43)41-12-2-10-31(34,35)18-41)16-25(24)29(44)39-11-3-13-46-23-8-6-21(7-9-23)32(36,37)38/h1,4-9,14-16,19H,2-3,10-13,17-18H2,(H,39,44)
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| InChIKey |
PWUKTCOWFUUYOZ-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: PT03645, Nucleotide-binding oligomerization domain-containing protein 1
Protein ID: PT03970, Nucleotide-binding oligomerization domain-containing protein 2