General Information of the Compound
| Compound ID |
CP0013013
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| Compound Name |
N-tert-butyl-2-[3-[6-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]-1H-benzimidazol-2-yl]phenyl]imidazo[1,2-a]pyridin-3-amine
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| Formula |
C27H22F3N7O
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| Molecular Weight |
517.515
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| Canonical SMILES |
CC(C)(C)Nc1c(nc2ccccn12)-c1cccc(c1)-c1nc2cc(ccc2[nH]1)-c1noc(n1)C(F)(F)F
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| InChI |
InChI=1S/C27H22F3N7O/c1-26(2,3)35-24-21(33-20-9-4-5-12-37(20)24)15-7-6-8-16(13-15)22-31-18-11-10-17(14-19(18)32-22)23-34-25(38-36-23)27(28,29)30/h4-14,35H,1-3H3,(H,31,32)
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| InChIKey |
JAJHZQMZEXOYNC-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
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000068 | A-549 | Homo sapiens (Human) | 1 |
| 1 |
IC50 > 10000 nM
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TI
LI
LO
TS
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