General Information of the Compound
| Compound ID |
CP0519409
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| Compound Name |
N-hydroxy-4-[[[1-(4-methylanilino)isoquinolin-7-yl]amino]methyl]benzamide
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| Structure |
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| Formula |
C24H22N4O2
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| Molecular Weight |
398.466
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| Canonical SMILES |
Cc1ccc(Nc2nccc3ccc(NCc4ccc(cc4)C(=O)NO)cc23)cc1
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| InChI |
InChI=1S/C24H22N4O2/c1-16-2-9-20(10-3-16)27-23-22-14-21(11-8-18(22)12-13-25-23)26-15-17-4-6-19(7-5-17)24(29)28-30/h2-14,26,30H,15H2,1H3,(H,25,27)(H,28,29)
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| InChIKey |
ZCIBQKDQRYCXGB-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