General Information of the Compound
| Compound ID |
CP0413183
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| Compound Name |
US9056843, 45
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| Structure |
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| Formula |
C18H14F3N3O2
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| Molecular Weight |
361.323
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| Canonical SMILES |
FC(F)(F)c1nc(no1)-c1ccc(cc1)C(=O)NCCc1ccccc1
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| InChI |
InChI=1S/C18H14F3N3O2/c19-18(20,21)17-23-15(24-26-17)13-6-8-14(9-7-13)16(25)22-11-10-12-4-2-1-3-5-12/h1-9H,10-11H2,(H,22,25)
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| InChIKey |
ZHWAHTLIBHKQHD-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: PT00994, Histone deacetylase 4
Protein ID: PT01213, Histone deacetylase 6