General Information of the Compound
| Compound ID |
CP0019532
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| Compound Name |
CS-055
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| Synonyms |
AKOS026750315
CS055
GTPL8305
HBI-8000
N-(2-amino-5-fluorophenyl)-4-{[3-(pyridin-3-yl)prop-2-enamido]methyl}benzamide
SCHEMBL5500152
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| Structure |
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| Formula |
C22H19FN4O2
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| Molecular Weight |
390.418
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| Canonical SMILES |
Nc1cc(F)ccc1NC(=O)c1ccc(CNC(=O)\C=C\c2cccnc2)cc1
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| InChI |
InChI=1S/C22H19FN4O2/c23-18-8-9-20(19(24)12-18)27-22(29)17-6-3-16(4-7-17)14-26-21(28)10-5-15-2-1-11-25-13-15/h1-13H,14,24H2,(H,26,28)(H,27,29)/b10-5+
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| InChIKey |
SZMJVTADHFNAIS-BJMVGYQFSA-N
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| CAS |
1616493-44-7
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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
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000504 | EBC-1 | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 2900 nM
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Clinical Information about the Compound