General Information of the Compound
| Compound ID |
CP0003577
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| Compound Name |
N-(2-amino-4-fluorophenyl)-3-[3-(tert-butylamino)imidazo[1,2-a]pyridin-2-yl]benzamide
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| Formula |
C24H24FN5O
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| Molecular Weight |
417.488
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| Canonical SMILES |
CC(C)(C)Nc1c(nc2ccccn12)-c1cccc(c1)C(=O)Nc1ccc(F)cc1N
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| InChI |
InChI=1S/C24H24FN5O/c1-24(2,3)29-22-21(28-20-9-4-5-12-30(20)22)15-7-6-8-16(13-15)23(31)27-19-11-10-17(25)14-18(19)26/h4-14,29H,26H2,1-3H3,(H,27,31)
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| InChIKey |
GKGCYVKOTVLEOB-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: PT00835, Histone deacetylase 2
Protein ID: PT00994, Histone deacetylase 4
Protein ID: PT00996, Histone deacetylase 5
Protein ID: PT01807, Histone deacetylase 7
Protein ID: PT01946, Histone deacetylase 9