General Information of the Compound
| Compound ID |
CP0548341
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| Compound Name |
10-[[4-(hydroxycarbamoyl)phenyl]methyl]-5-oxophenothiazine-2-carboxamide
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| Formula |
C21H17N3O4S
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| Molecular Weight |
407.451
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| Canonical SMILES |
NC(=O)c1ccc2[S+]([O-])c3ccccc3N(Cc3ccc(cc3)C(=O)NO)c2c1
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| InChI |
InChI=1S/C21H17N3O4S/c22-20(25)15-9-10-19-17(11-15)24(16-3-1-2-4-18(16)29(19)28)12-13-5-7-14(8-6-13)21(26)23-27/h1-11,27H,12H2,(H2,22,25)(H,23,26)
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| InChIKey |
GHZDPJSQRIMLOB-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: PT00994, Histone deacetylase 4
Protein ID: PT01213, Histone deacetylase 6
Protein ID: PT01807, Histone deacetylase 7
Protein ID: PT01946, Histone deacetylase 9