General Information of the Compound
| Compound ID |
CP0452639
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| Compound Name |
N-(2-butyl-1-oxoisoquinolin-7-yl)-N'-hydroxyoctanediamide
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| Structure |
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| Formula |
C21H29N3O4
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| Molecular Weight |
387.48
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| Canonical SMILES |
CCCCn1ccc2ccc(NC(=O)CCCCCCC(=O)NO)cc2c1=O
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| InChI |
InChI=1S/C21H29N3O4/c1-2-3-13-24-14-12-16-10-11-17(15-18(16)21(24)27)22-19(25)8-6-4-5-7-9-20(26)23-28/h10-12,14-15,28H,2-9,13H2,1H3,(H,22,25)(H,23,26)
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| InChIKey |
CIMZZSMMMYOQJV-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: PT00995, Histone deacetylase 3
Protein ID: PT01213, Histone deacetylase 6
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000063 | Hep-G2 | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 18540 nM
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TI
LI
LO
TS
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| CL000186 | RPMI-8226 | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 1880 nM
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TI
LI
LO
TS
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