General Information of the Compound
| Compound ID |
CP0011853
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| Compound Name |
N-(2-aminophenyl)-8-[[(2E)-3-(3-bromo-4-hydroxyphenyl)-2-hydroxyiminopropanoyl]amino]octanamide
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| Formula |
C23H29BrN4O4
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| Molecular Weight |
505.413
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| Canonical SMILES |
Nc1ccccc1NC(=O)CCCCCCCNC(=O)C(\Cc1ccc(O)c(Br)c1)=N\O
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| InChI |
InChI=1S/C23H29BrN4O4/c24-17-14-16(11-12-21(17)29)15-20(28-32)23(31)26-13-7-3-1-2-4-10-22(30)27-19-9-6-5-8-18(19)25/h5-6,8-9,11-12,14,29,32H,1-4,7,10,13,15,25H2,(H,26,31)(H,27,30)/b28-20+
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| InChIKey |
JJXKOCUFQVEZLA-VFCFBJKWSA-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: PT01213, Histone deacetylase 6
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000067 | HCT 116 | Homo sapiens (Human) | 1 |
| 1 |
IG50 = 11900 nM
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TI
LI
LO
TS
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| CL000083 | MCF-7 | Homo sapiens (Human) | 1 |
| 1 |
IG50 = 17900 nM
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TI
LI
LO
TS
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