General Information of the Compound
| Compound ID |
CP0013856
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| Compound Name |
4-[[3-(1,3-benzodioxol-5-yl)-5-methylpyrazol-1-yl]methyl]-N-hydroxybenzamide
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| Structure |
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| Formula |
C19H17N3O4
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| Molecular Weight |
351.362
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| Canonical SMILES |
Cc1cc(nn1Cc1ccc(cc1)C(=O)NO)-c1ccc2OCOc2c1
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| InChI |
InChI=1S/C19H17N3O4/c1-12-8-16(15-6-7-17-18(9-15)26-11-25-17)20-22(12)10-13-2-4-14(5-3-13)19(23)21-24/h2-9,24H,10-11H2,1H3,(H,21,23)
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| InChIKey |
BROIJWGKVDSFGU-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: PT01213, Histone deacetylase 6
Protein ID: PT01499, Histone deacetylase 8
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000063 | Hep-G2 | Homo sapiens (Human) | 1 |
| 1 |
GI50 = 20760 nM
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TI
LI
LO
TS
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