General Information of the Compound
| Compound ID |
CP0903942
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| Compound Name |
(E)-N-Hydroxy-3-(2-isopropyl-4-oxo-3-phenethyl-3,4-dihydro-quinazolin-7-yl)-Acrylamide
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| Structure |
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| Formula |
C22H23N3O3
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| Molecular Weight |
377.444
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| Canonical SMILES |
CC(C)c1nc2cc(/C=C/C(=O)NO)ccc2c(=O)n1CCc1ccccc1
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| InChI |
InChI=1S/C22H23N3O3/c1-15(2)21-23-19-14-17(9-11-20(26)24-28)8-10-18(19)22(27)25(21)13-12-16-6-4-3-5-7-16/h3-11,14-15,28H,12-13H2,1-2H3,(H,24,26)/b11-9+
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| InChIKey |
SDVRJMHVMXPKQZ-PKNBQFBNSA-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