General Information of the Compound
| Compound ID |
CP0011354
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| Compound Name |
N-[(1S)-1-[5-(2-fluorophenyl)-1,3,4-oxadiazol-2-yl]-7-(1,2-oxazol-3-yl)-7-oxoheptyl]-1-methylazetidine-3-carboxamide
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| Structure |
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| Formula |
C23H26FN5O4
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| Molecular Weight |
455.49
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| Canonical SMILES |
CN1CC(C1)C(=O)N[C@@H](CCCCCC(=O)c1ccon1)c1nnc(o1)-c1ccccc1F
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| InChI |
InChI=1S/C23H26FN5O4/c1-29-13-15(14-29)21(31)25-19(9-3-2-4-10-20(30)18-11-12-32-28-18)23-27-26-22(33-23)16-7-5-6-8-17(16)24/h5-8,11-12,15,19H,2-4,9-10,13-14H2,1H3,(H,25,31)/t19-/m0/s1
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| InChIKey |
JMODMXNTOJTCLH-IBGZPJMESA-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