General Information of the Compound
| Compound ID |
CP0450903
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| Compound Name |
N-[6-[3-(dimethylamino)phenoxy]-4-oxo-3H-quinazolin-7-yl]-4-[4-(trifluoromethyl)phenoxy]butanamide
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| Formula |
C27H25F3N4O4
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| Molecular Weight |
526.515
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| Canonical SMILES |
CN(C)c1cccc(Oc2cc3c(cc2NC(=O)CCCOc2ccc(cc2)C(F)(F)F)nc[nH]c3=O)c1
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| InChI |
InChI=1S/C27H25F3N4O4/c1-34(2)18-5-3-6-20(13-18)38-24-14-21-22(31-16-32-26(21)36)15-23(24)33-25(35)7-4-12-37-19-10-8-17(9-11-19)27(28,29)30/h3,5-6,8-11,13-16H,4,7,12H2,1-2H3,(H,33,35)(H,31,32,36)
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| InChIKey |
MDCVSDZLPMSOKN-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