General Information of the Compound
| Compound ID |
CP0192280
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| Compound Name |
(E)-N-Hydroxy-3-[4-(4-nitro-benzenesulfonylamino)-phenyl]-acrylamide
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| Structure |
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| Formula |
C15H13N3O6S
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| Molecular Weight |
363.351
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| Canonical SMILES |
ONC(=O)\C=C\c1ccc(NS(=O)(=O)c2ccc(cc2)[N+]([O-])=O)cc1
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| InChI |
InChI=1S/C15H13N3O6S/c19-15(16-20)10-3-11-1-4-12(5-2-11)17-25(23,24)14-8-6-13(7-9-14)18(21)22/h1-10,17,20H,(H,16,19)/b10-3+
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| InChIKey |
IKLORKBSKYBOFG-XCVCLJGOSA-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
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000067 | HCT 116 | Homo sapiens (Human) | 1 |
| 1 |
EC50 = 6000 nM
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TI
LI
LO
TS
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