General Information of the Compound
| Compound ID |
CP0394024
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| Compound Name |
1-[3-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]sulfonyl-N,N-dimethylindole-3-carboxamide
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| Structure |
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| Formula |
C20H19N3O5S
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| Molecular Weight |
413.455
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| Canonical SMILES |
CN(C)C(=O)c1cn(c2ccccc12)S(=O)(=O)c1cccc(\C=C\C(=O)NO)c1
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| InChI |
InChI=1S/C20H19N3O5S/c1-22(2)20(25)17-13-23(18-9-4-3-8-16(17)18)29(27,28)15-7-5-6-14(12-15)10-11-19(24)21-26/h3-13,26H,1-2H3,(H,21,24)/b11-10+
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| InChIKey |
FHSWKNWDBKVHSC-ZHACJKMWSA-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: 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 |
GI50 = 2490 nM
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TI
LI
LO
TS
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| CL000068 | A-549 | Homo sapiens (Human) | 1 |
| 1 |
GI50 > 5000 nM
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TI
LI
LO
TS
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