General Information of the Compound
| Compound ID |
CP0136714
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| Compound Name |
7-[6-(5-fluoro-6-methoxypyridin-3-yl)-4-methylquinazolin-8-yl]oxy-N-hydroxyheptanamide
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| Structure |
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| Formula |
C22H25FN4O4
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| Molecular Weight |
428.464
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| Canonical SMILES |
COc1ncc(cc1F)-c1cc(OCCCCCCC(=O)NO)c2ncnc(C)c2c1
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| InChI |
InChI=1S/C22H25FN4O4/c1-14-17-9-15(16-10-18(23)22(30-2)24-12-16)11-19(21(17)26-13-25-14)31-8-6-4-3-5-7-20(28)27-29/h9-13,29H,3-8H2,1-2H3,(H,27,28)
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| InChIKey |
BQKQDMVFQZHPJZ-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: PT00835, Histone deacetylase 2
Protein ID: PT00994, Histone deacetylase 4
Protein ID: PT01499, Histone deacetylase 8
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2