General Information of the Compound
| Compound ID |
CP0426108
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| Compound Name |
10-(trifluoromethyl)-3,4-dihydro-2H-pyrimido[1,2-c][1,3]benzothiazine-6-thione
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| Structure |
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| Formula |
C12H9F3N2S2
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| Molecular Weight |
302.346
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| Canonical SMILES |
FC(F)(F)c1ccc2SC(=S)N3CCCN=C3c2c1
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| InChI |
InChI=1S/C12H9F3N2S2/c13-12(14,15)7-2-3-9-8(6-7)10-16-4-1-5-17(10)11(18)19-9/h2-3,6H,1,4-5H2
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| InChIKey |
SRNBQQLYBCYORW-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
Protein ID: PT00995, Histone deacetylase 3
Protein ID: PT00996, Histone deacetylase 5
Protein ID: PT01213, Histone deacetylase 6
Protein ID: PT01807, Histone deacetylase 7