General Information of the Compound
| Compound ID |
CP0013328
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| Compound Name |
(7S)-7-amino-7-[2-(4-fluorophenyl)triazol-4-yl]-1-(1,2-oxazol-3-yl)heptan-1-one
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| Structure |
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| Formula |
C18H20FN5O2
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| Molecular Weight |
357.389
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| Canonical SMILES |
N[C@@H](CCCCCC(=O)c1ccon1)c1cnn(n1)-c1ccc(F)cc1
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| InChI |
InChI=1S/C18H20FN5O2/c19-13-6-8-14(9-7-13)24-21-12-17(22-24)15(20)4-2-1-3-5-18(25)16-10-11-26-23-16/h6-12,15H,1-5,20H2/t15-/m0/s1
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| InChIKey |
IOAQGGPWYTVPJM-HNNXBMFYSA-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: PT00835, Histone deacetylase 2