General Information of the Compound
| Compound ID |
CP0553456
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| Compound Name |
US10456394, Example 6
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| Structure |
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| Formula |
C17H16Cl2N2O2
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| Molecular Weight |
351.233
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| Canonical SMILES |
ONC(=O)c1ccc(CN2CCCc3cc(Cl)c(Cl)cc23)cc1
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| InChI |
InChI=1S/C17H16Cl2N2O2/c18-14-8-13-2-1-7-21(16(13)9-15(14)19)10-11-3-5-12(6-4-11)17(22)20-23/h3-6,8-9,23H,1-2,7,10H2,(H,20,22)
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| InChIKey |
GXZOKLQVFRUCLC-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: PT01213, Histone deacetylase 6