General Information of the Compound
| Compound ID |
CP0549360
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| Compound Name |
N-[6-[3-(dimethylamino)phenoxy]-4-oxo-3-(2-oxo-2-piperidin-1-ylethyl)quinazolin-7-yl]-2-[[4-(trifluoromethyl)phenyl]methoxy]acetamide
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| Formula |
C33H34F3N5O5
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| Molecular Weight |
637.659
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| Canonical SMILES |
CN(C)c1cccc(Oc2cc3c(cc2NC(=O)COCc2ccc(cc2)C(F)(F)F)ncn(CC(=O)N2CCCCC2)c3=O)c1
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| InChI |
InChI=1S/C33H34F3N5O5/c1-39(2)24-7-6-8-25(15-24)46-29-16-26-27(37-21-41(32(26)44)18-31(43)40-13-4-3-5-14-40)17-28(29)38-30(42)20-45-19-22-9-11-23(12-10-22)33(34,35)36/h6-12,15-17,21H,3-5,13-14,18-20H2,1-2H3,(H,38,42)
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| InChIKey |
JLDMWHXTGZDKCM-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