General Information of the Compound
| Compound ID |
CP0423391
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| Compound Name |
2-(5-{5-[(3-Amino-quinolinyl)-methyl]-pyridin-2-yl}-thiophen-2-yl)-2-oxoethyl Ethyl Trithiocarbonate
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| Structure |
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| Formula |
C24H21N3OS4
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| Molecular Weight |
495.72
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| Canonical SMILES |
CCSC(=S)SCC(=O)c1ccc(s1)-c1ccc(CNc2cnc3ccccc3c2)cn1
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| InChI |
InChI=1S/C24H21N3OS4/c1-2-30-24(29)31-15-21(28)23-10-9-22(32-23)20-8-7-16(13-26-20)12-25-18-11-17-5-3-4-6-19(17)27-14-18/h3-11,13-14,25H,2,12,15H2,1H3
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| InChIKey |
KHMNQJIQFPCIRQ-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: PT01213, Histone deacetylase 6