General Information of the Compound
| Compound ID |
CP0422674
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| Compound Name |
6-sulfanylidene-3,4-dihydro-2H-pyrimido[1,2-c][1,3]benzothiazine-9-carbonitrile
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| Structure |
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| Formula |
C12H9N3S2
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| Molecular Weight |
259.359
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| Canonical SMILES |
S=C1Sc2cc(ccc2C2=NCCCN12)C#N
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| InChI |
InChI=1S/C12H9N3S2/c13-7-8-2-3-9-10(6-8)17-12(16)15-5-1-4-14-11(9)15/h2-3,6H,1,4-5H2
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| InChIKey |
LDZQWDKVBOEJTR-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