General Information of the Compound
| Compound ID |
CP0208472
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| Compound Name |
N-(2-amino-5-thiophen-2-ylphenyl)-6-(2-oxo-1-oxa-3,8-diazaspiro[4.5]decan-8-yl)pyridine-3-carboxamide
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| Structure |
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| Formula |
C23H23N5O3S
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| Molecular Weight |
449.536
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| Canonical SMILES |
Nc1ccc(cc1NC(=O)c1ccc(nc1)N1CCC2(CNC(=O)O2)CC1)-c1cccs1
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| InChI |
InChI=1S/C23H23N5O3S/c24-17-5-3-15(19-2-1-11-32-19)12-18(17)27-21(29)16-4-6-20(25-13-16)28-9-7-23(8-10-28)14-26-22(30)31-23/h1-6,11-13H,7-10,14,24H2,(H,26,30)(H,27,29)
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| InChIKey |
MUTPWJCHZIMJSP-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: PT02410, Histone deacetylase 11
Protein ID: PT00835, Histone deacetylase 2
Protein ID: PT00995, Histone deacetylase 3
Protein ID: PT01213, Histone deacetylase 6
Protein ID: PT00897, Potassium voltage-gated channel subfamily H member 2
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000082 | HEL | Homo sapiens (Human) | 1 |
| 1 |
GI50 = 120 nM
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TI
LI
LO
TS
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