General Information of the Compound
| Compound ID |
CP0379999
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| Compound Name |
N-[2-amino-5-(4-fluorophenyl)phenyl]-3-oxabicyclo[3.1.0]hexane-6-carboxamide
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| Structure |
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| Formula |
C18H17FN2O2
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| Molecular Weight |
312.344
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| Canonical SMILES |
Nc1ccc(cc1NC(=O)C1C2COCC12)-c1ccc(F)cc1
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| InChI |
InChI=1S/C18H17FN2O2/c19-12-4-1-10(2-5-12)11-3-6-15(20)16(7-11)21-18(22)17-13-8-23-9-14(13)17/h1-7,13-14,17H,8-9,20H2,(H,21,22)
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| InChIKey |
IFZXXRSSOBBLAV-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: PT00835, Histone deacetylase 2