General Information of the Compound
| Compound ID |
CP0456200
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| Compound Name |
4-[[2,4-dioxo-3-(2-phenylethyl)-7-(trifluoromethyl)quinazolin-1-yl]methyl]-N-hydroxybenzamide
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| Structure |
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| Formula |
C25H20F3N3O4
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| Molecular Weight |
483.446
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| Canonical SMILES |
ONC(=O)c1ccc(Cn2c3cc(ccc3c(=O)n(CCc3ccccc3)c2=O)C(F)(F)F)cc1
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| InChI |
InChI=1S/C25H20F3N3O4/c26-25(27,28)19-10-11-20-21(14-19)31(15-17-6-8-18(9-7-17)22(32)29-35)24(34)30(23(20)33)13-12-16-4-2-1-3-5-16/h1-11,14,35H,12-13,15H2,(H,29,32)
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| InChIKey |
LDANZSVZHVZFQZ-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: PT00991, Histone deacetylase 1
Protein ID: PT02410, Histone deacetylase 11
Protein ID: PT01213, Histone deacetylase 6
Protein ID: PT01499, Histone deacetylase 8