General Information of the Compound
| Compound ID |
CP0903943
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| Compound Name |
(E)-3-(2-Cyclopropyl-4-oxo-3-phenethyl-3,4-dihydro-quinazolin-7-yl)-N-hydroxy-acrylamide
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| Structure |
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| Formula |
C22H21N3O3
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| Molecular Weight |
375.428
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| Canonical SMILES |
O=C(/C=C/c1ccc2c(=O)n(CCc3ccccc3)c(C3CC3)nc2c1)NO
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| InChI |
InChI=1S/C22H21N3O3/c26-20(24-28)11-7-16-6-10-18-19(14-16)23-21(17-8-9-17)25(22(18)27)13-12-15-4-2-1-3-5-15/h1-7,10-11,14,17,28H,8-9,12-13H2,(H,24,26)/b11-7+
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| InChIKey |
KOGSPXQDGNAZKQ-YRNVUSSQSA-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: PT01213, Histone deacetylase 6