General Information of the Compound
| Compound ID |
CP0482966
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| Compound Name |
2-Amino-6-({2-oxo-2-[4-(trifluoromethyl)phenyl]ethyl}sulfanyl)-4-(3-thienyl)pyridine-3,5-dicarbonitrile
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| Structure |
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| Formula |
C20H11F3N4OS2
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| Molecular Weight |
444.463
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| Canonical SMILES |
Nc1nc(SCC(=O)c2ccc(cc2)C(F)(F)F)c(C#N)c(-c2ccsc2)c1C#N
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| InChI |
InChI=1S/C20H11F3N4OS2/c21-20(22,23)13-3-1-11(2-4-13)16(28)10-30-19-15(8-25)17(12-5-6-29-9-12)14(7-24)18(26)27-19/h1-6,9H,10H2,(H2,26,27)
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| InChIKey |
YXBJKHIRVZKATP-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