General Information of the Compound
| Compound ID |
CP0398015
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| Compound Name |
N'-hydroxy-N-[4-(4-propan-2-ylanilino)thieno[3,2-d]pyrimidin-6-yl]octanediamide
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| Structure |
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| Formula |
C23H29N5O3S
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| Molecular Weight |
455.584
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| Canonical SMILES |
CC(C)c1ccc(Nc2ncnc3cc(NC(=O)CCCCCCC(=O)NO)sc23)cc1
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| InChI |
InChI=1S/C23H29N5O3S/c1-15(2)16-9-11-17(12-10-16)26-23-22-18(24-14-25-23)13-21(32-22)27-19(29)7-5-3-4-6-8-20(30)28-31/h9-15,31H,3-8H2,1-2H3,(H,27,29)(H,28,30)(H,24,25,26)
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| InChIKey |
UNVYMFHLCWUHKU-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