General Information of the Compound
| Compound ID |
CP0872330
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| Compound Name |
(E)-N-Hydroxy-3-{3-[2-(1H-indol-3-yl)-ethyl]-2-methyl-4-oxo-3,4-dihydro-quinazolin-7-yl}-acrylamide
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| Structure |
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| Formula |
C22H20N4O3
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| Molecular Weight |
388.427
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| Canonical SMILES |
Cc1nc2cc(/C=C/C(=O)NO)ccc2c(=O)n1CCc1c[nH]c2ccccc12
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| InChI |
InChI=1S/C22H20N4O3/c1-14-24-20-12-15(7-9-21(27)25-29)6-8-18(20)22(28)26(14)11-10-16-13-23-19-5-3-2-4-17(16)19/h2-9,12-13,23,29H,10-11H2,1H3,(H,25,27)/b9-7+
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| InChIKey |
PYZKRYQFSYSEQK-VQHVLOKHSA-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: PT01213, Histone deacetylase 6
Protein ID: PT01499, Histone deacetylase 8