General Information of the Compound
| Compound ID |
CP0659828
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| Compound Name |
N-(2-Aminophenyl)-4-{[4-(3-ethynylphenylamino)quinazoline-6-yloxy]methyl}benzamide
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| Structure |
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| Formula |
C30H23N5O2
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| Molecular Weight |
485.547
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| Canonical SMILES |
C#Cc1cccc(Nc2ncnc3ccc(OCc4ccc(C(=O)Nc5ccccc5N)cc4)cc23)c1
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| InChI |
InChI=1S/C30H23N5O2/c1-2-20-6-5-7-23(16-20)34-29-25-17-24(14-15-27(25)32-19-33-29)37-18-21-10-12-22(13-11-21)30(36)35-28-9-4-3-8-26(28)31/h1,3-17,19H,18,31H2,(H,35,36)(H,32,33,34)
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| InChIKey |
SEVGOOROBLVJGK-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