General Information of the Compound
| Compound ID |
CP0546115
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| Compound Name |
N'-hydroxy-N-(6-thiophen-3-yl-1H-indazol-3-yl)octanediamide
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| Formula |
C19H22N4O3S
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| Molecular Weight |
386.477
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| Canonical SMILES |
ONC(=O)CCCCCCC(=O)Nc1n[nH]c2cc(ccc12)-c1ccsc1
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| InChI |
InChI=1S/C19H22N4O3S/c24-17(5-3-1-2-4-6-18(25)23-26)20-19-15-8-7-13(11-16(15)21-22-19)14-9-10-27-12-14/h7-12,26H,1-6H2,(H,23,25)(H2,20,21,22,24)
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| InChIKey |
DGACHWPRSSQBRX-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: PT01499, Histone deacetylase 8
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000067 | HCT 116 | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 7500 nM
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TI
LI
LO
TS
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| CL000083 | MCF-7 | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 8300 nM
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TI
LI
LO
TS
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