General Information of the Compound
| Compound ID |
CP0443841
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| Compound Name |
4-[(E)-(4-bromophenyl)methylideneamino]-3-(2-phenylethyl)-2-sulfanylidene-1,3-thiazole-5-carbonitrile
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| Structure |
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| Formula |
C19H14BrN3S2
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| Molecular Weight |
428.38
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| Canonical SMILES |
Brc1ccc(\C=N\c2c(sc(=S)n2CCc2ccccc2)C#N)cc1
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| InChI |
InChI=1S/C19H14BrN3S2/c20-16-8-6-15(7-9-16)13-22-18-17(12-21)25-19(24)23(18)11-10-14-4-2-1-3-5-14/h1-9,13H,10-11H2/b22-13+
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| InChIKey |
QEFPHPOWHSXBBC-LPYMAVHISA-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: PT00840, Adenosine receptor A1
Protein ID: PT00862, Adenosine receptor A2a