General Information of the Compound
| Compound ID |
CP0691433
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| Compound Name |
N-(2-aminophenyl)-4-{[4-(3-bromophenylamino)quinazoline-6-yloxy]-methyl}benzamide
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| Structure |
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| Formula |
C28H22BrN5O2
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| Molecular Weight |
540.421
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| Canonical SMILES |
Nc1ccccc1NC(=O)c1ccc(COc2ccc3ncnc(Nc4cccc(Br)c4)c3c2)cc1
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| InChI |
InChI=1S/C28H22BrN5O2/c29-20-4-3-5-21(14-20)33-27-23-15-22(12-13-25(23)31-17-32-27)36-16-18-8-10-19(11-9-18)28(35)34-26-7-2-1-6-24(26)30/h1-15,17H,16,30H2,(H,34,35)(H,31,32,33)
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| InChIKey |
RGIXMSXCHQWNPC-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: PT00995, Histone deacetylase 3
Protein ID: PT01213, Histone deacetylase 6
Protein ID: PT01499, Histone deacetylase 8
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000052 | A-431 | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 1700 nM
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