General Information of the Compound
| Compound ID |
CP0414260
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| Compound Name |
US9056843, 67
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| Structure |
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| Formula |
C16H11F3N4O3
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| Molecular Weight |
364.283
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| Canonical SMILES |
COc1cc(NC(=O)c2ccc(cc2)-c2noc(n2)C(F)(F)F)ccn1
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| InChI |
InChI=1S/C16H11F3N4O3/c1-25-12-8-11(6-7-20-12)21-14(24)10-4-2-9(3-5-10)13-22-15(26-23-13)16(17,18)19/h2-8H,1H3,(H,20,21,24)
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| InChIKey |
SNHBOCUHRATDMD-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