General Information of the Compound
| Compound ID |
CP0068410
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| Compound Name |
(E)-4-(3-(hydroxyamino)-3-oxoprop-1-enyl)-N-(3-(4-(pyridin-3-yl)thiazol-2-ylamino)phenyl)benzamide
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| Structure |
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| Formula |
C24H19N5O3S
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| Molecular Weight |
457.515
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| Canonical SMILES |
ONC(=O)\C=C\c1ccc(cc1)C(=O)Nc1cccc(Nc2ncc(s2)-c2cccnc2)c1
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| InChI |
InChI=1S/C24H19N5O3S/c30-22(29-32)11-8-16-6-9-17(10-7-16)23(31)27-19-4-1-5-20(13-19)28-24-26-15-21(33-24)18-3-2-12-25-14-18/h1-15,32H,(H,26,28)(H,27,31)(H,29,30)/b11-8+
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| InChIKey |
DVPOFWNODQBJNT-DHZHZOJOSA-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: PT01213, Histone deacetylase 6
Cell Viability or Cytotoxicity Assay
| Cell Line ID | Cell Line Name | Cell Line Organism | |
| CL000002 | K-562 | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 1900 nM
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TI
LI
LO
TS
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| CL000017 | HeLa | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 5920 nM
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TI
LI
LO
TS
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