General Information of the Compound
| Compound ID |
CP0479550
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| Compound Name |
N-hydroxy-5-[4-[[(E)-3-(4-methoxyphenyl)prop-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 |
C21H26N4O4S
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| Molecular Weight |
430.53
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| Canonical SMILES |
COc1ccc(\C=C\C(=O)NCCCCN2CCc3nc(sc3C2)C(=O)NO)cc1
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| InChI |
InChI=1S/C21H26N4O4S/c1-29-16-7-4-15(5-8-16)6-9-19(26)22-11-2-3-12-25-13-10-17-18(14-25)30-21(23-17)20(27)24-28/h4-9,28H,2-3,10-14H2,1H3,(H,22,26)(H,24,27)/b9-6+
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| InChIKey |
IHGNHBSRLZAZHQ-RMKNXTFCSA-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