General Information of the Compound
| Compound ID |
CP0450894
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| Compound Name |
methyl 2-[6-(3-chlorophenyl)-4-oxo-7-[3-[4-(trifluoromethyl)phenoxy]propylcarbamoyl]quinazolin-3-yl]acetate
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| Formula |
C28H23ClF3N3O5
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| Molecular Weight |
573.955
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| Canonical SMILES |
COC(=O)Cn1cnc2cc(C(=O)NCCCOc3ccc(cc3)C(F)(F)F)c(cc2c1=O)-c1cccc(Cl)c1
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| InChI |
InChI=1S/C28H23ClF3N3O5/c1-39-25(36)15-35-16-34-24-14-22(21(13-23(24)27(35)38)17-4-2-5-19(29)12-17)26(37)33-10-3-11-40-20-8-6-18(7-9-20)28(30,31)32/h2,4-9,12-14,16H,3,10-11,15H2,1H3,(H,33,37)
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| InChIKey |
ASXLKFZOIWDSCU-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