General Information of the Compound
| Compound ID |
CP0570859
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| Compound Name |
6-(3-chlorophenyl)-4-oxo-3-(2-oxo-2-piperidin-1-ylethyl)-N-[3-[4-(trifluoromethyl)phenoxy]propyl]quinazoline-7-carboxamide
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| Formula |
C32H30ClF3N4O4
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| Molecular Weight |
627.063
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| Canonical SMILES |
FC(F)(F)c1ccc(OCCCNC(=O)c2cc3ncn(CC(=O)N4CCCCC4)c(=O)c3cc2-c2cccc(Cl)c2)cc1
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| InChI |
InChI=1S/C32H30ClF3N4O4/c33-23-7-4-6-21(16-23)25-17-27-28(38-20-40(31(27)43)19-29(41)39-13-2-1-3-14-39)18-26(25)30(42)37-12-5-15-44-24-10-8-22(9-11-24)32(34,35)36/h4,6-11,16-18,20H,1-3,5,12-15,19H2,(H,37,42)
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| InChIKey |
CUBDBSUHGFRLSF-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