General Information of the Compound
| Compound ID |
CP0406753
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| Compound Name |
(E)-3-[4-[[3-[(dimethylamino)methyl]-2-methylindol-1-yl]methyl]phenyl]-N-hydroxyprop-2-enamide
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| Structure |
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| Formula |
C22H25N3O2
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| Molecular Weight |
363.461
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| Canonical SMILES |
CN(C)Cc1c(C)n(Cc2ccc(\C=C\C(=O)NO)cc2)c2ccccc12
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| InChI |
InChI=1S/C22H25N3O2/c1-16-20(15-24(2)3)19-6-4-5-7-21(19)25(16)14-18-10-8-17(9-11-18)12-13-22(26)23-27/h4-13,27H,14-15H2,1-3H3,(H,23,26)/b13-12+
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| InChIKey |
TXULANXUEGXDJS-OUKQBFOZSA-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 = 2080 nM
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| CL000068 | A-549 | Homo sapiens (Human) | 1 |
| 1 |
GI50 = 3690 nM
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