General Information of the Compound
| Compound ID |
CP0546025
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| Compound Name |
methyl 2-[6-(3-morpholin-4-ylphenoxy)-4-oxo-7-[[2-[[4-(trifluoromethyl)phenyl]methoxy]acetyl]amino]quinazolin-3-yl]acetate
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| Formula |
C31H29F3N4O7
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| Molecular Weight |
626.588
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| Canonical SMILES |
COC(=O)Cn1cnc2cc(NC(=O)COCc3ccc(cc3)C(F)(F)F)c(Oc3cccc(c3)N3CCOCC3)cc2c1=O
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| InChI |
InChI=1S/C31H29F3N4O7/c1-42-29(40)16-38-19-35-25-15-26(36-28(39)18-44-17-20-5-7-21(8-6-20)31(32,33)34)27(14-24(25)30(38)41)45-23-4-2-3-22(13-23)37-9-11-43-12-10-37/h2-8,13-15,19H,9-12,16-18H2,1H3,(H,36,39)
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| InChIKey |
NMRXGLAXNGJRIR-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