General Information of the Compound
| Compound ID |
CP0560246
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| Compound Name |
N-[4-(3-chloroanilino)thieno[3,2-d]pyrimidin-6-yl]-N'-hydroxyoctanediamide
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| Structure |
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| Formula |
C20H22ClN5O3S
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| Molecular Weight |
447.948
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| Canonical SMILES |
ONC(=O)CCCCCCC(=O)Nc1cc2ncnc(Nc3cccc(Cl)c3)c2s1
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| InChI |
InChI=1S/C20H22ClN5O3S/c21-13-6-5-7-14(10-13)24-20-19-15(22-12-23-20)11-18(30-19)25-16(27)8-3-1-2-4-9-17(28)26-29/h5-7,10-12,29H,1-4,8-9H2,(H,25,27)(H,26,28)(H,22,23,24)
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| InChIKey |
MCQYSBXVOTVSFC-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