General Information of the Compound
| Compound ID |
CP0450905
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| Compound Name |
6-(3-chlorophenyl)-4-oxo-N-[3-[4-(trifluoromethyl)phenoxy]propyl]-3H-quinazoline-7-carboxamide
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| Formula |
C25H19ClF3N3O3
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| Molecular Weight |
501.892
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| Canonical SMILES |
FC(F)(F)c1ccc(OCCCNC(=O)c2cc3nc[nH]c(=O)c3cc2-c2cccc(Cl)c2)cc1
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| InChI |
InChI=1S/C25H19ClF3N3O3/c26-17-4-1-3-15(11-17)19-12-21-22(31-14-32-24(21)34)13-20(19)23(33)30-9-2-10-35-18-7-5-16(6-8-18)25(27,28)29/h1,3-8,11-14H,2,9-10H2,(H,30,33)(H,31,32,34)
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| InChIKey |
PZDXNUPXBBKHFL-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