General Information of the Compound
| Compound ID |
CP0520599
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| Compound Name |
N-[2-amino-5-(4-fluorophenyl)phenyl]-3,4-dihydro-1H-isochromene-3-carboxamide
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| Structure |
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| Formula |
C22H19FN2O2
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| Molecular Weight |
362.404
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| Canonical SMILES |
Nc1ccc(cc1NC(=O)C1Cc2ccccc2CO1)-c1ccc(F)cc1
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| InChI |
InChI=1S/C22H19FN2O2/c23-18-8-5-14(6-9-18)16-7-10-19(24)20(11-16)25-22(26)21-12-15-3-1-2-4-17(15)13-27-21/h1-11,21H,12-13,24H2,(H,25,26)
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| InChIKey |
FVTBTHDXSZOXNU-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