General Information of the Compound
| Compound ID |
CP0416790
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| Compound Name |
N-hydroxy-5-[1-[6-[(5-phenylthiophene-2-carbonyl)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 |
C25H23N5O3S2
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| Molecular Weight |
505.625
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| Canonical SMILES |
CC(N1CCc2nc(sc2C1)C(=O)NO)c1ccc(NC(=O)c2ccc(s2)-c2ccccc2)nc1
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| InChI |
InChI=1S/C25H23N5O3S2/c1-15(30-12-11-18-21(14-30)35-25(27-18)24(32)29-33)17-7-10-22(26-13-17)28-23(31)20-9-8-19(34-20)16-5-3-2-4-6-16/h2-10,13,15,33H,11-12,14H2,1H3,(H,29,32)(H,26,28,31)
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| InChIKey |
UXUZFHWWBOGYPU-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: PT00995, Histone deacetylase 3
Protein ID: PT01213, Histone deacetylase 6