General Information of the Compound
| Compound ID |
CP0508977
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| Compound Name |
US9056843, 105
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| Structure |
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| Formula |
C16H12F3N3O3S
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| Molecular Weight |
383.351
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| Canonical SMILES |
Cc1cccc(NS(=O)(=O)c2ccc(cc2)-c2noc(n2)C(F)(F)F)c1
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| InChI |
InChI=1S/C16H12F3N3O3S/c1-10-3-2-4-12(9-10)22-26(23,24)13-7-5-11(6-8-13)14-20-15(25-21-14)16(17,18)19/h2-9,22H,1H3
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| InChIKey |
XVQXAPJYHCFGLN-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