General Information of the Compound
| Compound ID |
CP0370120
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| Compound Name |
2-[(4-fluorophenyl)methyl-[7-(hydroxyamino)-7-oxoheptyl]amino]-N-(3-imidazol-1-ylpropyl)-1,3-thiazole-5-carboxamide
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| Structure |
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| Formula |
C24H31FN6O3S
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| Molecular Weight |
502.616
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| Canonical SMILES |
ONC(=O)CCCCCCN(Cc1ccc(F)cc1)c1ncc(s1)C(=O)NCCCn1ccnc1
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| InChI |
InChI=1S/C24H31FN6O3S/c25-20-9-7-19(8-10-20)17-31(14-4-2-1-3-6-22(32)29-34)24-28-16-21(35-24)23(33)27-11-5-13-30-15-12-26-18-30/h7-10,12,15-16,18,34H,1-6,11,13-14,17H2,(H,27,33)(H,29,32)
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| InChIKey |
WSTLKKSKCYMNAA-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: PT00994, Histone deacetylase 4
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 | |
| CL000063 | Hep-G2 | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 9400 nM
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TI
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LO
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