General Information of the Compound
| Compound ID |
CP0416690
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| Compound Name |
N-hydroxy-5-[1-[6-[[(E)-3-phenylprop-2-enoyl]amino]pyridin-3-yl]ethyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
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| Structure |
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| Formula |
C23H23N5O3S
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| Molecular Weight |
449.536
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| Canonical SMILES |
CC(N1CCc2nc(sc2C1)C(=O)NO)c1ccc(NC(=O)\C=C\c2ccccc2)nc1
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| InChI |
InChI=1S/C23H23N5O3S/c1-15(28-12-11-18-19(14-28)32-23(25-18)22(30)27-31)17-8-9-20(24-13-17)26-21(29)10-7-16-5-3-2-4-6-16/h2-10,13,15,31H,11-12,14H2,1H3,(H,27,30)(H,24,26,29)/b10-7+
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| InChIKey |
WQKUDUNZTFANRI-JXMROGBWSA-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: PT00995, Histone deacetylase 3
Protein ID: PT01213, Histone deacetylase 6