General Information of the Compound
| Compound ID |
CP0514802
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| Compound Name |
10-[[4-[(E)-3-(hydroxyamino)-3-oxoprop-1-enyl]phenyl]methyl]phenothiazine-2-carboxamide
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| Formula |
C23H19N3O3S
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| Molecular Weight |
417.49
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| Canonical SMILES |
NC(=O)c1ccc2Sc3ccccc3N(Cc3ccc(\C=C\C(=O)NO)cc3)c2c1
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| InChI |
InChI=1S/C23H19N3O3S/c24-23(28)17-10-11-21-19(13-17)26(18-3-1-2-4-20(18)30-21)14-16-7-5-15(6-8-16)9-12-22(27)25-29/h1-13,29H,14H2,(H2,24,28)(H,25,27)/b12-9+
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| InChIKey |
ZPGFFUPJVVYKGI-FMIVXFBMSA-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