General Information of the Compound
| Compound ID |
CP0406752
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| Compound Name |
1-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methyl]-N,N-dimethylindole-3-carboxamide
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| Structure |
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| Formula |
C21H21N3O3
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| Molecular Weight |
363.417
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| Canonical SMILES |
CN(C)C(=O)c1cn(Cc2ccc(\C=C\C(=O)NO)cc2)c2ccccc12
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| InChI |
InChI=1S/C21H21N3O3/c1-23(2)21(26)18-14-24(19-6-4-3-5-17(18)19)13-16-9-7-15(8-10-16)11-12-20(25)22-27/h3-12,14,27H,13H2,1-2H3,(H,22,25)/b12-11+
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| InChIKey |
MVLWIZHSAGUWJK-VAWYXSNFSA-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 | |
| CL000048 | PC-3 | Homo sapiens (Human) | 1 |
| 1 |
GI50 = 1890 nM
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LO
TS
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| CL000067 | HCT 116 | Homo sapiens (Human) | 1 |
| 1 |
GI50 = 750 nM
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TI
LI
LO
TS
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