General Information of the Compound
| Compound ID |
CP0014274
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| Compound Name |
N-(1-benzylpyrrolidin-3-yl)-4-[5-(trifluoromethyl)-1,2,4-oxadiazol-3-yl]benzamide
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| Formula |
C21H19F3N4O2
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| Molecular Weight |
416.403
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| Canonical SMILES |
FC(F)(F)c1nc(no1)-c1ccc(cc1)C(=O)NC1CCN(Cc2ccccc2)C1
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| InChI |
InChI=1S/C21H19F3N4O2/c22-21(23,24)20-26-18(27-30-20)15-6-8-16(9-7-15)19(29)25-17-10-11-28(13-17)12-14-4-2-1-3-5-14/h1-9,17H,10-13H2,(H,25,29)
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| InChIKey |
LGDCOYCPANTWSM-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: PT00994, Histone deacetylase 4
Protein ID: PT00996, Histone deacetylase 5
Protein ID: PT01807, Histone deacetylase 7
Protein ID: PT01946, Histone deacetylase 9