General Information of the Compound
| Compound ID |
CP0204863
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| Compound Name |
(E)-N-hydroxy-3-(4-((4-methyl-3-(4-(pyridin-3-yl)pyrimidin-2-ylamino)phenylamino)methyl)phenyl)acrylamide
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| Structure |
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| Formula |
C26H24N6O2
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| Molecular Weight |
452.518
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| Canonical SMILES |
Cc1ccc(NCc2ccc(\C=C\C(=O)NO)cc2)cc1Nc1nccc(n1)-c1cccnc1
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| InChI |
InChI=1S/C26H24N6O2/c1-18-4-10-22(29-16-20-7-5-19(6-8-20)9-11-25(33)32-34)15-24(18)31-26-28-14-12-23(30-26)21-3-2-13-27-17-21/h2-15,17,29,34H,16H2,1H3,(H,32,33)(H,28,30,31)/b11-9+
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| InChIKey |
HIRRHXZKTMZOHN-PKNBQFBNSA-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