General Information of the Compound
| Compound ID |
CP0458445
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| Compound Name |
2-[4-(2-methylpyridin-4-yl)phenyl]sulfanyl-N-(5-pyrazin-2-ylpyridin-2-yl)acetamide
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| Structure |
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| Formula |
C23H19N5OS
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| Molecular Weight |
413.506
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| Canonical SMILES |
Cc1cc(ccn1)-c1ccc(SCC(=O)Nc2ccc(cn2)-c2cnccn2)cc1
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| InChI |
InChI=1S/C23H19N5OS/c1-16-12-18(8-9-25-16)17-2-5-20(6-3-17)30-15-23(29)28-22-7-4-19(13-27-22)21-14-24-10-11-26-21/h2-14H,15H2,1H3,(H,27,28,29)
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| InChIKey |
OGSRYQZSSXXEKO-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