General Information of the Compound
| Compound ID |
CP0850024
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| Compound Name |
N-(2-aminophenyl)-N5-(4-(3-ethynylphenylamino)-quinazoline-6-yl)pyridine-2,5-dicarboxamide
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| Structure |
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| Formula |
C29H21N7O2
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| Molecular Weight |
499.534
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| Canonical SMILES |
C#Cc1cccc(Nc2ncnc3ccc(NC(=O)c4ccc(C(=O)Nc5ccccc5N)nc4)cc23)c1
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| InChI |
InChI=1S/C29H21N7O2/c1-2-18-6-5-7-20(14-18)34-27-22-15-21(11-13-24(22)32-17-33-27)35-28(37)19-10-12-26(31-16-19)29(38)36-25-9-4-3-8-23(25)30/h1,3-17H,30H2,(H,35,37)(H,36,38)(H,32,33,34)
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| InChIKey |
WWOKSCYKKHLDQZ-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 > 16000 nM
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