General Information of the Compound
| Compound ID |
CP0013675
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| Compound Name |
3-(3,4-dihydro-1H-isoquinolin-2-yl)-N-hydroxypropanamide
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| Structure |
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| Formula |
C12H16N2O2
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| Molecular Weight |
220.272
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| Canonical SMILES |
ONC(=O)CCN1CCc2ccccc2C1
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| InChI |
InChI=1S/C12H16N2O2/c15-12(13-16)6-8-14-7-5-10-3-1-2-4-11(10)9-14/h1-4,16H,5-9H2,(H,13,15)
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| InChIKey |
CSUNRCDQZFLWOZ-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