General Information of the Compound
| Compound ID |
CP0561858
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| Compound Name |
2-amino-4-(3-benzyl-2-ethylsulfanylimidazol-4-yl)-6-(4-bromophenyl)pyridine-3-carbonitrile
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| Structure |
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| Formula |
C24H20BrN5S
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| Molecular Weight |
490.43
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| Canonical SMILES |
CCSc1ncc(-c2cc([nH]c(=N)c2C#N)-c2ccc(Br)cc2)n1Cc1ccccc1
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| InChI |
InChI=1S/C24H20BrN5S/c1-2-31-24-28-14-22(30(24)15-16-6-4-3-5-7-16)19-12-21(29-23(27)20(19)13-26)17-8-10-18(25)11-9-17/h3-12,14H,2,15H2,1H3,(H2,27,29)
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| InChIKey |
ZPUHISLIAUSNQH-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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