General Information of the Compound
| Compound ID |
CP0478984
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| Compound Name |
6-[2-[4-[2-(dimethylamino)ethoxy]phenyl]-5-hydroxy-4-oxochromen-7-yl]oxy-N-hydroxyhexanamide;hydrochloride
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| Formula |
C25H31ClN2O7
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| Molecular Weight |
506.983
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| Canonical SMILES |
Cl.CN(C)CCOc1ccc(cc1)-c1cc(=O)c2c(O)cc(OCCCCCC(=O)NO)cc2o1
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| InChI |
InChI=1S/C25H30N2O7.ClH/c1-27(2)11-13-33-18-9-7-17(8-10-18)22-16-21(29)25-20(28)14-19(15-23(25)34-22)32-12-5-3-4-6-24(30)26-31;/h7-10,14-16,28,31H,3-6,11-13H2,1-2H3,(H,26,30);1H
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| InChIKey |
HDHBTUFDSFLMOP-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: PT00994, Histone deacetylase 4
Protein ID: PT00996, Histone deacetylase 5
Protein ID: PT01213, Histone deacetylase 6
Protein ID: PT01807, Histone deacetylase 7
Protein ID: PT01499, Histone deacetylase 8
Protein ID: PT01946, Histone deacetylase 9
Protein ID: PT01443, Polyamine deacetylase HDAC10
Cell Viability or Cytotoxicity Assay