General Information of the Compound
| Compound ID |
CP0431967
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| Compound Name |
4-[(E)-(4-bromophenyl)methylideneamino]-3-propyl-2-sulfanylidene-1,3-thiazole-5-carbonitrile
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| Structure |
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| Formula |
C14H12BrN3S2
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| Molecular Weight |
366.309
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| Canonical SMILES |
CCCn1c(\N=C\c2ccc(Br)cc2)c(sc1=S)C#N
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| InChI |
InChI=1S/C14H12BrN3S2/c1-2-7-18-13(12(8-16)20-14(18)19)17-9-10-3-5-11(15)6-4-10/h3-6,9H,2,7H2,1H3/b17-9+
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| InChIKey |
IJUOHSDHKJKRNX-RQZCQDPDSA-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