General Information of the Compound
| Compound ID |
CP0457329
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| Compound Name |
4-[[3-[(dimethylamino)methyl]-2-methylindol-1-yl]methyl]-N-hydroxybenzamide
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| Structure |
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| Formula |
C20H23N3O2
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| Molecular Weight |
337.423
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| Canonical SMILES |
CN(C)Cc1c(C)n(Cc2ccc(cc2)C(=O)NO)c2ccccc12
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| InChI |
InChI=1S/C20H23N3O2/c1-14-18(13-22(2)3)17-6-4-5-7-19(17)23(14)12-15-8-10-16(11-9-15)20(24)21-25/h4-11,25H,12-13H2,1-3H3,(H,21,24)
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| InChIKey |
AWFYSKUENHXUOS-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: 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 > 5000 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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