General Information of the Compound
| Compound ID |
CP0555573
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| Compound Name |
N-[3-[2-(3,3-difluoropiperidin-1-yl)-2-oxoethyl]-6-[3-(dimethylamino)phenoxy]-4-oxoquinazolin-7-yl]-2-[[4-(trifluoromethyl)phenyl]methoxy]acetamide
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| Formula |
C33H32F5N5O5
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| Molecular Weight |
673.639
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| Canonical SMILES |
CN(C)c1cccc(Oc2cc3c(cc2NC(=O)COCc2ccc(cc2)C(F)(F)F)ncn(CC(=O)N2CCCC(F)(F)C2)c3=O)c1
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| InChI |
InChI=1S/C33H32F5N5O5/c1-41(2)23-5-3-6-24(13-23)48-28-14-25-26(39-20-43(31(25)46)16-30(45)42-12-4-11-32(34,35)19-42)15-27(28)40-29(44)18-47-17-21-7-9-22(10-8-21)33(36,37)38/h3,5-10,13-15,20H,4,11-12,16-19H2,1-2H3,(H,40,44)
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| InChIKey |
HGOZASPSWPDZQN-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