General Information of the Compound
| Compound ID |
CP0528713
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| Compound Name |
2-butan-2-ylsulfanyl-5-(2,4-dichlorophenyl)-3,6-diethylpyrazine
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| Structure |
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| Formula |
C18H22Cl2N2S
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| Molecular Weight |
369.361
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| Canonical SMILES |
CCC(C)Sc1nc(CC)c(nc1CC)-c1ccc(Cl)cc1Cl
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| InChI |
InChI=1S/C18H22Cl2N2S/c1-5-11(4)23-18-16(7-3)21-17(15(6-2)22-18)13-9-8-12(19)10-14(13)20/h8-11H,5-7H2,1-4H3
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| InChIKey |
WBPRGCQXFLDPKA-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