General Information of the Compound
| Compound ID |
CP0526478
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| Compound Name |
2-ethylsulfanylcarbothioylsulfanyl-1-[4-(quinazolin-4-ylamino)phenyl]ethanone
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| Structure |
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| Formula |
C19H17N3OS3
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| Molecular Weight |
399.566
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| Canonical SMILES |
CCSC(=S)SCC(=O)c1ccc(Nc2ncnc3ccccc23)cc1
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| InChI |
InChI=1S/C19H17N3OS3/c1-2-25-19(24)26-11-17(23)13-7-9-14(10-8-13)22-18-15-5-3-4-6-16(15)20-12-21-18/h3-10,12H,2,11H2,1H3,(H,20,21,22)
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| InChIKey |
ZQTBIZBQRGUXFG-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