General Information of the Compound
| Compound ID |
CP0416694
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| Compound Name |
N-hydroxy-5-[4-[[(E)-3-(4-methoxyphenyl)prop-2-enoyl]amino]benzoyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-2-carboxamide
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| Structure |
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| Formula |
C24H22N4O5S
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| Molecular Weight |
478.53
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| Canonical SMILES |
COc1ccc(\C=C\C(=O)Nc2ccc(cc2)C(=O)N2CCc3nc(sc3C2)C(=O)NO)cc1
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| InChI |
InChI=1S/C24H22N4O5S/c1-33-18-9-2-15(3-10-18)4-11-21(29)25-17-7-5-16(6-8-17)24(31)28-13-12-19-20(14-28)34-23(26-19)22(30)27-32/h2-11,32H,12-14H2,1H3,(H,25,29)(H,27,30)/b11-4+
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| InChIKey |
MUFLGCDHPGLRNJ-NYYWCZLTSA-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