General Information of the Compound
| Compound ID |
CP0204866
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| Compound Name |
2-N-(2-aminophenyl)-5-N-[4-methyl-3-[(5-pyridin-3-yl-1,3-thiazol-2-yl)amino]phenyl]pyridine-2,5-dicarboxamide
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| Structure |
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| Formula |
C28H23N7O2S
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| Molecular Weight |
521.606
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| Canonical SMILES |
Cc1ccc(NC(=O)c2ccc(nc2)C(=O)Nc2ccccc2N)cc1Nc1ncc(s1)-c1cccnc1
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| InChI |
InChI=1S/C28H23N7O2S/c1-17-8-10-20(13-24(17)35-28-32-16-25(38-28)18-5-4-12-30-14-18)33-26(36)19-9-11-23(31-15-19)27(37)34-22-7-3-2-6-21(22)29/h2-16H,29H2,1H3,(H,32,35)(H,33,36)(H,34,37)
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| InChIKey |
NSNLRAKUIBYWMK-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 = 690 nM
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TS
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| CL000017 | HeLa | Homo sapiens (Human) | 1 |
| 1 |
IC50 = 2500 nM
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TI
LI
LO
TS
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