General Information of the Compound
| Compound ID |
CP0151686
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| Compound Name |
4-N-(2-aminophenyl)-1-N-[4-methyl-3-[(5-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]benzene-1,4-dicarboxamide
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| Structure |
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| Formula |
C29H24N6O2S
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| Molecular Weight |
520.618
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| Canonical SMILES |
Cc1ccc(NC(=O)c2ccc(cc2)C(=O)Nc2ccccc2N)cc1Nc1ncc(s1)-c1cccnc1
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| InChI |
InChI=1S/C29H24N6O2S/c1-18-8-13-22(15-25(18)35-29-32-17-26(38-29)21-5-4-14-31-16-21)33-27(36)19-9-11-20(12-10-19)28(37)34-24-7-3-2-6-23(24)30/h2-17H,30H2,1H3,(H,32,35)(H,33,36)(H,34,37)
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| InChIKey |
MMIKNEYLJPHVLH-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: 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 = 850 nM
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| CL000017 | HeLa | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 4450 nM
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TI
LI
LO
TS
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