General Information of the Compound
| Compound ID |
CP0856506
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| Compound Name |
N-(2-Amino-phenyl)-N'-[4-(3-ethynyl-phenylamino)-quinazoline-6-yl]-terephthalamide
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| Structure |
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| Formula |
C30H22N6O2
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| Molecular Weight |
498.546
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| Canonical SMILES |
C#Cc1cccc(Nc2ncnc3ccc(NC(=O)c4ccc(C(=O)Nc5ccccc5N)cc4)cc23)c1
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| InChI |
InChI=1S/C30H22N6O2/c1-2-19-6-5-7-22(16-19)34-28-24-17-23(14-15-26(24)32-18-33-28)35-29(37)20-10-12-21(13-11-20)30(38)36-27-9-4-3-8-25(27)31/h1,3-18H,31H2,(H,35,37)(H,36,38)(H,32,33,34)
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| InChIKey |
FJXOZMGDPBTRIC-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 | |
| CL000068 | A-549 | Homo sapiens (Human) | 1 |
| 1 |
IC50 > 50000 nM
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TI
LI
LO
TS
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