General Information of the Compound
| Compound ID |
CP0450896
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| Compound Name |
N-[3-[2-(3,3-difluoropiperidin-1-yl)-2-oxoethyl]-6-(3-morpholin-4-ylphenoxy)-4-oxoquinazolin-7-yl]-2-[[4-(trifluoromethyl)phenyl]methoxy]acetamide
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| Formula |
C35H34F5N5O6
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| Molecular Weight |
715.676
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| Canonical SMILES |
FC(F)(F)c1ccc(COCC(=O)Nc2cc3ncn(CC(=O)N4CCCC(F)(F)C4)c(=O)c3cc2Oc2cccc(c2)N2CCOCC2)cc1
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| InChI |
InChI=1S/C35H34F5N5O6/c36-34(37)9-2-10-44(21-34)32(47)18-45-22-41-28-17-29(42-31(46)20-50-19-23-5-7-24(8-6-23)35(38,39)40)30(16-27(28)33(45)48)51-26-4-1-3-25(15-26)43-11-13-49-14-12-43/h1,3-8,15-17,22H,2,9-14,18-21H2,(H,42,46)
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| InChIKey |
STJGPPVIWXNZDP-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