General Information of the Compound
| Compound ID |
CP0416688
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| Compound Name |
N-hydroxy-5-[4-[[(E)-3-phenylprop-2-enoyl]amino]butyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
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| Structure |
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| Formula |
C20H24N4O3S
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| Molecular Weight |
400.504
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| Canonical SMILES |
ONC(=O)c1nc2CCN(CCCCNC(=O)\C=C\c3ccccc3)Cc2s1
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| InChI |
InChI=1S/C20H24N4O3S/c25-18(9-8-15-6-2-1-3-7-15)21-11-4-5-12-24-13-10-16-17(14-24)28-20(22-16)19(26)23-27/h1-3,6-9,27H,4-5,10-14H2,(H,21,25)(H,23,26)/b9-8+
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| InChIKey |
IWJUPSSAMNLEFD-CMDGGOBGSA-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